N-[4-(3-bromoanilino)quinazolin-6-yl]but-2-ynamide

CAS: 194423-06-8

Molecular Formula	`C18H13BrN4O`
Molecular Weight	381.2 g/mol
LogP	4.3
Topological Polar Surface Area	66.9 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	380.02728
Heavy Atoms	24
Complexity	514.0

Chemical Identifiers

CAS Number	194423-06-8
SMILES	`CC#CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br`
InChIKey	`BTYYWOYVBXILOJ-UHFFFAOYSA-N`

📖 Product Overview

N-[4-(3-bromoanilino)quinazolin-6-yl]but-2-ynamide (CAS: 194423-06-8) is a chemical compound with molecular formula C18H13BrN4O and molecular weight 381.2 g/mol. Its IUPAC systematic name is N-[4-(3-bromoanilino)quinazolin-6-yl]but-2-ynamide. LogP 4.3 Topological Polar Surface Area 66.9 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 3 Exact Mass 380.02728 Heavy Atoms 24 Complexity 514.0 InChI Key: BTYYWOYVBXILOJ-UHFFFAOYSA-N. SMILES: CC#CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br.

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