3-[(E)-[(6-methyl-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one

C25H19N5O — CID 135529630

IUPAC3-[(E)-[(6-methyl-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one
SMILESCc1ccc2nc(N/N=C/c3cc4ccccc4[nH]c3=O)nc(-c3ccccc3)c2c1
InChIInChI=1S/C25H19N5O/c1-16-11-12-22-20(13-16)23(17-7-3-2-4-8-17)29-25(28-22)30-26-15-19-14-18-9-5-6-10-21(18)27-24(19)31/h2-15H,1H3,(H,27,31)(H,28,29,30)/b26-15+
InChIKeyVOWPSODHKBMKSR-CVKSISIWSA-N
MW405.46 g/mol
LogP4.89
Rot. Bonds4

About 3-[(E)-[(6-methyl-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one

3-[(E)-[(6-methyl-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one (PubChem CID 135529630) has the molecular formula C25H19N5O and a molecular weight of 405.46 g/mol. Its IUPAC name is 3-[(E)-[(6-methyl-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(E)-[(6-methyl-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one
PubChem CID135529630
Molecular FormulaC25H19N5O
Molecular Weight405.46 g/mol
Exact Mass405.16
IUPAC Name3-[(E)-[(6-methyl-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one
SMILESCc1ccc2nc(N/N=C/c3cc4ccccc4[nH]c3=O)nc(-c3ccccc3)c2c1
InChIInChI=1S/C25H19N5O/c1-16-11-12-22-20(13-16)23(17-7-3-2-4-8-17)29-25(28-22)30-26-15-19-14-18-9-5-6-10-21(18)27-24(19)31/h2-15H,1H3,(H,27,31)(H,28,29,30)/b26-15+
InChIKeyVOWPSODHKBMKSR-CVKSISIWSA-N
XLogP4.89
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.89
H-Bond Donors ≤ 52
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 3-[(E)-[(6-methyl-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one 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

3-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one
CID 135533175
N-[(Z)-[(3aR,7aS)-3a,7a-dihydro-1H-indol-2-yl]methylideneamino]-6-methyl-4-phenylquinazolin-2-amine
CID 98285469
N-[(2-chloro-7-ethoxyquinolin-3-yl)methylideneamino]-6-methyl-4-phenylquinazolin-2-amine
CID 2830444
N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]-4-phenylquinazolin-2-amine
CID 136853822
6-methyl-N,4-diphenylquinazolin-2-amine
CID 782168
2-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]naphthalen-1-ol
CID 135521814
6-methyl-N-(2-methylphenyl)-4-phenylquinazolin-2-amine
CID 782171
(2S)-2-[(6-methyl-4-phenylquinazolin-2-yl)amino]propanoic acid
CID 929491
2-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 136782146
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-7-methyl-4-phenylquinazolin-2-amine
CID 75534449
4-N,4-N-dimethyl-1-N-(6-methyl-4-phenylquinazolin-2-yl)benzene-1,4-diamine
CID 3851416
4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 136911857

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[(6-methyl-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(E)-[(6-methyl-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one (CID 135529630) is 3-[(E)-[(6-methyl-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(E)-[(6-methyl-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(E)-[(6-methyl-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one is Cc1ccc2nc(N/N=C/c3cc4ccccc4[nH]c3=O)nc(-c3ccccc3)c2c1.
What is the InChIKey of 3-[(E)-[(6-methyl-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one?
The InChIKey is VOWPSODHKBMKSR-CVKSISIWSA-N. The full InChI is InChI=1S/C25H19N5O/c1-16-11-12-22-20(13-16)23(17-7-3-2-4-8-17)29-25(28-22)30-26-15-19-14-18-9-5-6-10-21(18)27-24(19)31/h2-15H,1H3,(H,27,31)(H,28,29,30)/b26-15+.
What are the key properties of 3-[(E)-[(6-methyl-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one?
3-[(E)-[(6-methyl-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one has a molecular weight of 405.46 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[(6-methyl-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 135529630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).