3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)quinazolin-4-one

C25H16N4O4 — CID 137047003

IUPAC3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccc([N+](=O)[O-])cc2)n1N=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C25H16N4O4/c30-23-14-11-16-5-1-2-6-19(16)21(23)15-26-28-24(17-9-12-18(13-10-17)29(32)33)27-22-8-4-3-7-20(22)25(28)31/h1-15,30H
InChIKeyYLWKBIVJJOLWLI-UHFFFAOYSA-N
MW436.43 g/mol
LogP4.71
Rot. Bonds4

About 3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)quinazolin-4-one

3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)quinazolin-4-one (PubChem CID 137047003) has the molecular formula C25H16N4O4 and a molecular weight of 436.43 g/mol. Its IUPAC name is 3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)quinazolin-4-one
PubChem CID137047003
Molecular FormulaC25H16N4O4
Molecular Weight436.43 g/mol
Exact Mass436.12
IUPAC Name3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccc([N+](=O)[O-])cc2)n1N=Cc1c(O)ccc2ccccc12
InChIInChI=1S/C25H16N4O4/c30-23-14-11-16-5-1-2-6-19(16)21(23)15-26-28-24(17-9-12-18(13-10-17)29(32)33)27-22-8-4-3-7-20(22)25(28)31/h1-15,30H
InChIKeyYLWKBIVJJOLWLI-UHFFFAOYSA-N
XLogP4.71
TPSA110.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)quinazolin-4-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-[[2-[(3-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one
CID 126406015
3-[[3,5-dibromo-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126410222
[4-nitro-2-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenyl] acetate
CID 126410366
3-[[2-[(2S)-butan-2-yl]oxy-5-nitrophenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126409607
3-[[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126406960
(2S)-2-[1-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxypropanoic acid
CID 126408699
3-[(3-chloro-4-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 137058329
[2-ethoxy-4-[[2-(4-nitrophenyl)-4-oxoquinazolin-3-yl]iminomethyl]phenyl] 3-methylbenzoate
CID 126137216
3-[(Z)-(4-nitrophenyl)methylideneamino]-2-propylquinazolin-4-one
CID 5424130
3-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one
CID 126406359
[2-nitro-6-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenyl] acetate
CID 126411584
3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[(1-phenylethenylamino)oxymethyl]quinazolin-4-one
CID 135851926

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)quinazolin-4-one?
The IUPAC name of 3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)quinazolin-4-one (CID 137047003) is 3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)quinazolin-4-one.
What is the SMILES notation for 3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)quinazolin-4-one?
The canonical SMILES for 3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)quinazolin-4-one is O=c1c2ccccc2nc(-c2ccc([N+](=O)[O-])cc2)n1N=Cc1c(O)ccc2ccccc12.
What is the InChIKey of 3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)quinazolin-4-one?
The InChIKey is YLWKBIVJJOLWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N4O4/c30-23-14-11-16-5-1-2-6-19(16)21(23)15-26-28-24(17-9-12-18(13-10-17)29(32)33)27-22-8-4-3-7-20(22)25(28)31/h1-15,30H.
What are the key properties of 3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)quinazolin-4-one?
3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)quinazolin-4-one has a molecular weight of 436.43 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)quinazolin-4-one is sourced from PubChem (CID 137047003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).