N'-(2-chloro-6-methylquinazolin-4-yl)benzohydrazide

C16H13ClN4O — CID 42864303

IUPACN'-(2-chloro-6-methylquinazolin-4-yl)benzohydrazide
SMILESCc1ccc2nc(Cl)nc(NNC(=O)c3ccccc3)c2c1
InChIInChI=1S/C16H13ClN4O/c1-10-7-8-13-12(9-10)14(19-16(17)18-13)20-21-15(22)11-5-3-2-4-6-11/h2-9H,1H3,(H,21,22)(H,18,19,20)
InChIKeyRDHYELCLQYEKEL-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.35
Rot. Bonds3

About N'-(2-chloro-6-methylquinazolin-4-yl)benzohydrazide

N'-(2-chloro-6-methylquinazolin-4-yl)benzohydrazide (PubChem CID 42864303) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is N'-(2-chloro-6-methylquinazolin-4-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(2-chloro-6-methylquinazolin-4-yl)benzohydrazide
PubChem CID42864303
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC NameN'-(2-chloro-6-methylquinazolin-4-yl)benzohydrazide
SMILESCc1ccc2nc(Cl)nc(NNC(=O)c3ccccc3)c2c1
InChIInChI=1S/C16H13ClN4O/c1-10-7-8-13-12(9-10)14(19-16(17)18-13)20-21-15(22)11-5-3-2-4-6-11/h2-9H,1H3,(H,21,22)(H,18,19,20)
InChIKeyRDHYELCLQYEKEL-UHFFFAOYSA-N
XLogP3.35
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-chloro-6-methylquinazolin-4-yl)-2-fluorobenzohydrazide
CID 42864299
N'-(3-chloroquinoxalin-2-yl)benzohydrazide
CID 15163975
tert-butyl N-[2-[(2-chloro-6-methylquinazolin-4-yl)amino]ethyl]carbamate
CID 86691423
ethyl 2-[2-(2-chloroquinazolin-4-yl)hydrazinyl]-2-oxoacetate
CID 13191626
N'-(2-chloroquinazolin-4-yl)-3-methoxypropanehydrazide
CID 22693205
tert-butyl N-[1-[[(2-chloro-6-methylquinazolin-4-yl)amino]methyl]cyclopropyl]carbamate
CID 86691449
N-(2,6-dichloroquinazolin-4-yl)acetamide
CID 133062371
N-(6-bromo-2-chloroquinazolin-4-yl)acetamide
CID 133061494
N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide
CID 5261928
3,4,5-trimethoxy-N'-(6-methyl-4-phenylquinazolin-2-yl)benzohydrazide
CID 3339295
N'-(2-chloro-4-methylphenyl)sulfonylbenzohydrazide
CID 32673196
N'-(6-bromo-4-phenylquinazolin-2-yl)-3-methylbenzohydrazide
CID 4032991

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-6-methylquinazolin-4-yl)benzohydrazide?
The IUPAC name of N'-(2-chloro-6-methylquinazolin-4-yl)benzohydrazide (CID 42864303) is N'-(2-chloro-6-methylquinazolin-4-yl)benzohydrazide.
What is the SMILES notation for N'-(2-chloro-6-methylquinazolin-4-yl)benzohydrazide?
The canonical SMILES for N'-(2-chloro-6-methylquinazolin-4-yl)benzohydrazide is Cc1ccc2nc(Cl)nc(NNC(=O)c3ccccc3)c2c1.
What is the InChIKey of N'-(2-chloro-6-methylquinazolin-4-yl)benzohydrazide?
The InChIKey is RDHYELCLQYEKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c1-10-7-8-13-12(9-10)14(19-16(17)18-13)20-21-15(22)11-5-3-2-4-6-11/h2-9H,1H3,(H,21,22)(H,18,19,20).
What are the key properties of N'-(2-chloro-6-methylquinazolin-4-yl)benzohydrazide?
N'-(2-chloro-6-methylquinazolin-4-yl)benzohydrazide has a molecular weight of 312.76 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-6-methylquinazolin-4-yl)benzohydrazide is sourced from PubChem (CID 42864303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).