3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one

C20H15N3O2 — CID 135443059

IUPAC3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C20H15N3O2/c1-13-22-18-9-5-4-8-16(18)20(25)23(13)21-12-17-15-7-3-2-6-14(15)10-11-19(17)24/h2-12,24H,1H3/b21-12+
InChIKeyJGLXBMHDKKBLJV-CIAFOILYSA-N
MW329.36 g/mol
LogP3.45
Rot. Bonds2

About 3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one

3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one (PubChem CID 135443059) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one
PubChem CID135443059
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C20H15N3O2/c1-13-22-18-9-5-4-8-16(18)20(25)23(13)21-12-17-15-7-3-2-6-14(15)10-11-19(17)24/h2-12,24H,1H3/b21-12+
InChIKeyJGLXBMHDKKBLJV-CIAFOILYSA-N
XLogP3.45
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-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

Sirtinol
CID 2827646
3-{[(E)-(2-hydroxyphenyl)methylidene]amino}-2-phenyl-4(3H)-quinazolinone
CID 135539638
3-[(2,4-dihydroxybenzylidene)amino]-2-methyl-4(3H)-quinazolinone
CID 135433285
3-{[(2-Hydroxyphenyl)methylidene]amino}-2-methyl-3,4-dihydroquinazolin-4-one
CID 135446665
3-[[(E)-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-2-methylquinazolin-4-one
CID 135676089
3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)quinazolin-4-one
CID 86294869
2-(2-Hydroxy-1-naphthylmethyleneamino)benzoic acid
CID 710083
(S)-sirtinol
CID 1376645
(R)-sirtinol
CID 1376646
3-[[(Z)-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]amino]-2-propylquinazolin-4-one
CID 135449585
3-{[(E)-(2-hydroxyphenyl)methylidene]amino}-2-propylquinazolin-4(3H)-one
CID 135449601
(E)-3-Hydroxy-2-[2-[(2-hydroxy-1-naphthyl)methylene]hydrazino]quinazolin-4(3H)-one
CID 135510946

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one (CID 135443059) is 3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of 3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is JGLXBMHDKKBLJV-CIAFOILYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-13-22-18-9-5-4-8-16(18)20(25)23(13)21-12-17-15-7-3-2-6-14(15)10-11-19(17)24/h2-12,24H,1H3/b21-12+.
What are the key properties of 3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one?
3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one has a molecular weight of 329.36 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 135443059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).