2-chloro-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide

C17H14ClN5O — CID 174298473

IUPAC2-chloro-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
SMILESCc1nc(N=C(N)NC(=O)c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C17H14ClN5O/c1-10-11-6-3-5-9-14(11)21-17(20-10)23-16(19)22-15(24)12-7-2-4-8-13(12)18/h2-9H,1H3,(H3,19,20,21,22,23,24)
InChIKeyKXMBWJMHSUHYAS-UHFFFAOYSA-N
MW339.79 g/mol
LogP2.97
Rot. Bonds2

About 2-chloro-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide

2-chloro-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide (PubChem CID 174298473) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is 2-chloro-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
PubChem CID174298473
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name2-chloro-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
SMILESCc1nc(N=C(N)NC(=O)c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C17H14ClN5O/c1-10-11-6-3-5-9-14(11)21-17(20-10)23-16(19)22-15(24)12-7-2-4-8-13(12)18/h2-9H,1H3,(H3,19,20,21,22,23,24)
InChIKeyKXMBWJMHSUHYAS-UHFFFAOYSA-N
XLogP2.97
TPSA93.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-chloro-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide 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-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135436000
N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]acetamide
CID 135543529
1-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea
CID 135526918
1-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]-3-phenylurea
CID 135444510
4-methoxy-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 174298479
4-cyano-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 170701612
N-[(Z)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide
CID 135451367
N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanamide
CID 135506328
(4-chlorophenyl) N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]carbamate
CID 135407557
N'-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]butanediamide
CID 174298249
3-N-[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]-5-[[2-[[(E)-N'-(4-methylquinazolin-2-yl)carbamimidoyl]carbamoyl]phenyl]methyl]benzene-1,3-dicarboxamide
CID 170701650
N-[N'-(4,6,7-trimethylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135430047

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide?
The IUPAC name of 2-chloro-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide (CID 174298473) is 2-chloro-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide?
The canonical SMILES for 2-chloro-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide is Cc1nc(N=C(N)NC(=O)c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide?
The InChIKey is KXMBWJMHSUHYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c1-10-11-6-3-5-9-14(11)21-17(20-10)23-16(19)22-15(24)12-7-2-4-8-13(12)18/h2-9H,1H3,(H3,19,20,21,22,23,24).
What are the key properties of 2-chloro-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide?
2-chloro-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide has a molecular weight of 339.79 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide is sourced from PubChem (CID 174298473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).