N-[(E)-(2-chlorophenyl)methylideneamino]-2-methyl-4-oxoquinazoline-3-carboxamide

C17H13ClN4O2 — CID 10497390

IUPACN-[(E)-(2-chlorophenyl)methylideneamino]-2-methyl-4-oxoquinazoline-3-carboxamide
SMILESCc1nc2ccccc2c(=O)n1C(=O)N/N=C/c1ccccc1Cl
InChIInChI=1S/C17H13ClN4O2/c1-11-20-15-9-5-3-7-13(15)16(23)22(11)17(24)21-19-10-12-6-2-4-8-14(12)18/h2-10H,1H3,(H,21,24)/b19-10+
InChIKeyXUVFLWZXYDYGPL-VXLYETTFSA-N
MW340.77 g/mol
LogP2.95
Rot. Bonds2

About N-[(E)-(2-chlorophenyl)methylideneamino]-2-methyl-4-oxoquinazoline-3-carboxamide

N-[(E)-(2-chlorophenyl)methylideneamino]-2-methyl-4-oxoquinazoline-3-carboxamide (PubChem CID 10497390) has the molecular formula C17H13ClN4O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is N-[(E)-(2-chlorophenyl)methylideneamino]-2-methyl-4-oxoquinazoline-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-chlorophenyl)methylideneamino]-2-methyl-4-oxoquinazoline-3-carboxamide
PubChem CID10497390
Molecular FormulaC17H13ClN4O2
Molecular Weight340.77 g/mol
Exact Mass340.07
IUPAC NameN-[(E)-(2-chlorophenyl)methylideneamino]-2-methyl-4-oxoquinazoline-3-carboxamide
SMILESCc1nc2ccccc2c(=O)n1C(=O)N/N=C/c1ccccc1Cl
InChIInChI=1S/C17H13ClN4O2/c1-11-20-15-9-5-3-7-13(15)16(23)22(11)17(24)21-19-10-12-6-2-4-8-14(12)18/h2-10H,1H3,(H,21,24)/b19-10+
InChIKeyXUVFLWZXYDYGPL-VXLYETTFSA-N
XLogP2.95
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(2-chlorophenyl)methylideneamino]-2-methyl-4-oxoquinazoline-3-carboxamide 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

2-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-hydroxyquinazolin-4-one
CID 4897068
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 6129367
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide
CID 135788637
N-[(2-chlorophenyl)methylideneamino]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 75150430
N-[(2-chlorophenyl)methylideneamino]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4510714
N-[(2-chlorophenyl)methylideneamino]-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 5169699
3-butyl-2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]quinazolin-4-one
CID 23625621
3-chloro-N-[[2,5-dimethyl-1-(2-methyl-4-oxoquinazolin-3-yl)pyrrol-3-yl]methylideneamino]benzamide
CID 3451840
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 136781512
N-[[2,5-dimethyl-1-(2-methyl-4-oxoquinazolin-3-yl)pyrrol-3-yl]methylideneamino]-3-hydroxybenzamide
CID 3345324
2-methyl-3-(2-methylbenzoyl)quinazolin-4-one
CID 69343372
N-[(Z)-(2-chlorophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523599

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-2-methyl-4-oxoquinazoline-3-carboxamide?
The IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-2-methyl-4-oxoquinazoline-3-carboxamide (CID 10497390) is N-[(E)-(2-chlorophenyl)methylideneamino]-2-methyl-4-oxoquinazoline-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-chlorophenyl)methylideneamino]-2-methyl-4-oxoquinazoline-3-carboxamide?
The canonical SMILES for N-[(E)-(2-chlorophenyl)methylideneamino]-2-methyl-4-oxoquinazoline-3-carboxamide is Cc1nc2ccccc2c(=O)n1C(=O)N/N=C/c1ccccc1Cl.
What is the InChIKey of N-[(E)-(2-chlorophenyl)methylideneamino]-2-methyl-4-oxoquinazoline-3-carboxamide?
The InChIKey is XUVFLWZXYDYGPL-VXLYETTFSA-N. The full InChI is InChI=1S/C17H13ClN4O2/c1-11-20-15-9-5-3-7-13(15)16(23)22(11)17(24)21-19-10-12-6-2-4-8-14(12)18/h2-10H,1H3,(H,21,24)/b19-10+.
What are the key properties of N-[(E)-(2-chlorophenyl)methylideneamino]-2-methyl-4-oxoquinazoline-3-carboxamide?
N-[(E)-(2-chlorophenyl)methylideneamino]-2-methyl-4-oxoquinazoline-3-carboxamide has a molecular weight of 340.77 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chlorophenyl)methylideneamino]-2-methyl-4-oxoquinazoline-3-carboxamide is sourced from PubChem (CID 10497390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).