2-methyl-3-[(Z)-[(2Z)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,2-diphenylethylidene]amino]quinazolin-4-one

C32H24N6O2 — CID 6009700

IUPAC2-methyl-3-[(Z)-[(2Z)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,2-diphenylethylidene]amino]quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C(C(=N/n1c(C)nc2ccccc2c1=O)\c1ccccc1)/c1ccccc1
InChIInChI=1S/C32H24N6O2/c1-21-33-27-19-11-9-17-25(27)31(39)37(21)35-29(23-13-5-3-6-14-23)30(24-15-7-4-8-16-24)36-38-22(2)34-28-20-12-10-18-26(28)32(38)40/h3-20H,1-2H3/b35-29-,36-30-
InChIKeyAFEOSGRKMJGDAG-YSVNBZGQSA-N
MW524.58 g/mol
LogP4.93
Rot. Bonds5

About 2-methyl-3-[(Z)-[(2Z)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,2-diphenylethylidene]amino]quinazolin-4-one

2-methyl-3-[(Z)-[(2Z)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,2-diphenylethylidene]amino]quinazolin-4-one (PubChem CID 6009700) has the molecular formula C32H24N6O2 and a molecular weight of 524.58 g/mol. Its IUPAC name is 2-methyl-3-[(Z)-[(2Z)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,2-diphenylethylidene]amino]quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-[(Z)-[(2Z)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,2-diphenylethylidene]amino]quinazolin-4-one
PubChem CID6009700
Molecular FormulaC32H24N6O2
Molecular Weight524.58 g/mol
Exact Mass524.20
IUPAC Name2-methyl-3-[(Z)-[(2Z)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,2-diphenylethylidene]amino]quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C(C(=N/n1c(C)nc2ccccc2c1=O)\c1ccccc1)/c1ccccc1
InChIInChI=1S/C32H24N6O2/c1-21-33-27-19-11-9-17-25(27)31(39)37(21)35-29(23-13-5-3-6-14-23)30(24-15-7-4-8-16-24)36-38-22(2)34-28-20-12-10-18-26(28)32(38)40/h3-20H,1-2H3/b35-29-,36-30-
InChIKeyAFEOSGRKMJGDAG-YSVNBZGQSA-N
XLogP4.93
TPSA94.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.58
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(1-pyridin-3-ylethylideneamino)quinazolin-4-one
CID 23937673
ethyl (1E)-N-(2-methyl-4-oxoquinazolin-3-yl)ethanimidate
CID 13409713
2-methyl-3-(1-thiophen-2-ylethylideneamino)quinazolin-4-one
CID 4863812
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 136721220
3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 936423
3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6908041
N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 807598
2-methyl-3-[(E)-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylideneamino]quinazolin-4-one
CID 10473624
3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150
2-methyl-3-[(2-nitrophenyl)methylideneamino]quinazolin-4-one
CID 880262
2-methyl-3-(morpholin-4-ylmethylideneamino)quinazolin-4-one
CID 5125278

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(Z)-[(2Z)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,2-diphenylethylidene]amino]quinazolin-4-one?
The IUPAC name of 2-methyl-3-[(Z)-[(2Z)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,2-diphenylethylidene]amino]quinazolin-4-one (CID 6009700) is 2-methyl-3-[(Z)-[(2Z)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,2-diphenylethylidene]amino]quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-[(Z)-[(2Z)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,2-diphenylethylidene]amino]quinazolin-4-one?
The canonical SMILES for 2-methyl-3-[(Z)-[(2Z)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,2-diphenylethylidene]amino]quinazolin-4-one is Cc1nc2ccccc2c(=O)n1/N=C(C(=N/n1c(C)nc2ccccc2c1=O)\c1ccccc1)/c1ccccc1.
What is the InChIKey of 2-methyl-3-[(Z)-[(2Z)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,2-diphenylethylidene]amino]quinazolin-4-one?
The InChIKey is AFEOSGRKMJGDAG-YSVNBZGQSA-N. The full InChI is InChI=1S/C32H24N6O2/c1-21-33-27-19-11-9-17-25(27)31(39)37(21)35-29(23-13-5-3-6-14-23)30(24-15-7-4-8-16-24)36-38-22(2)34-28-20-12-10-18-26(28)32(38)40/h3-20H,1-2H3/b35-29-,36-30-.
What are the key properties of 2-methyl-3-[(Z)-[(2Z)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,2-diphenylethylidene]amino]quinazolin-4-one?
2-methyl-3-[(Z)-[(2Z)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,2-diphenylethylidene]amino]quinazolin-4-one has a molecular weight of 524.58 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(Z)-[(2Z)-2-(2-methyl-4-oxoquinazolin-3-yl)imino-1,2-diphenylethylidene]amino]quinazolin-4-one is sourced from PubChem (CID 6009700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).