N'-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]acetohydrazide

C16H12BrClN4O — CID 4535582

IUPACN'-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]acetohydrazide
SMILESCC(=O)NNc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1
InChIInChI=1S/C16H12BrClN4O/c1-9(23)21-22-16-19-14-7-6-10(17)8-12(14)15(20-16)11-4-2-3-5-13(11)18/h2-8H,1H3,(H,21,23)(H,19,20,22)
InChIKeyYQVNYHSRUGPXPX-UHFFFAOYSA-N
MW391.66 g/mol
LogP4.18
Rot. Bonds3

About N'-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]acetohydrazide

N'-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]acetohydrazide (PubChem CID 4535582) has the molecular formula C16H12BrClN4O and a molecular weight of 391.66 g/mol. Its IUPAC name is N'-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]acetohydrazide.

Molecular Properties

Compound NameN'-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]acetohydrazide
PubChem CID4535582
Molecular FormulaC16H12BrClN4O
Molecular Weight391.66 g/mol
Exact Mass389.99
IUPAC NameN'-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]acetohydrazide
SMILESCC(=O)NNc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1
InChIInChI=1S/C16H12BrClN4O/c1-9(23)21-22-16-19-14-7-6-10(17)8-12(14)15(20-16)11-4-2-3-5-13(11)18/h2-8H,1H3,(H,21,23)(H,19,20,22)
InChIKeyYQVNYHSRUGPXPX-UHFFFAOYSA-N
XLogP4.18
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.66
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]-2-chlorobenzohydrazide
CID 5034881
N'-(6-bromo-4-phenylquinazolin-2-yl)-3-methylbenzohydrazide
CID 4032991
2-methylpropyl N-[(E)-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]methylideneamino]carbamate
CID 18877576
6-bromo-2-(2-chlorophenyl)quinoline-4-carbonyl chloride
CID 46779275
6-bromo-2-(2-chlorophenyl)-N-methylquinazolin-4-amine
CID 64981527
methyl 6-chloro-4-(2-chlorophenyl)quinazoline-2-carboxylate
CID 121005439
N-(6-bromo-2-chloroquinazolin-4-yl)acetamide
CID 133061494
6-bromo-4-(2-chlorophenyl)-1-methylquinazolin-2-one
CID 4713933
6-[4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 2950794
6-bromo-2-(2-chlorophenyl)quinazolin-4-amine
CID 64983536
2,6-dichloro-4-(2-chlorophenyl)quinazoline
CID 13033156
1-[4-(2-chlorophenyl)-2-(methylamino)thieno[2,3-d]pyrimidin-6-yl]ethanone
CID 59647334

Frequently Asked Questions

What is the IUPAC name of N'-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]acetohydrazide?
The IUPAC name of N'-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]acetohydrazide (CID 4535582) is N'-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]acetohydrazide.
What is the SMILES notation for N'-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]acetohydrazide?
The canonical SMILES for N'-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]acetohydrazide is CC(=O)NNc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1.
What is the InChIKey of N'-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]acetohydrazide?
The InChIKey is YQVNYHSRUGPXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClN4O/c1-9(23)21-22-16-19-14-7-6-10(17)8-12(14)15(20-16)11-4-2-3-5-13(11)18/h2-8H,1H3,(H,21,23)(H,19,20,22).
What are the key properties of N'-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]acetohydrazide?
N'-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]acetohydrazide has a molecular weight of 391.66 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]acetohydrazide is sourced from PubChem (CID 4535582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).