3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one

C16H13N3O2 — CID 135446665

IUPAC3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C/c1ccccc1O
InChIInChI=1S/C16H13N3O2/c1-11-18-14-8-4-3-7-13(14)16(21)19(11)17-10-12-6-2-5-9-15(12)20/h2-10,20H,1H3/b17-10+
InChIKeyYRHUQCFZMPCIDO-LICLKQGHSA-N
MW279.30 g/mol
LogP2.29
Rot. Bonds2

About 3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one

3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one (PubChem CID 135446665) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
PubChem CID135446665
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C/c1ccccc1O
InChIInChI=1S/C16H13N3O2/c1-11-18-14-8-4-3-7-13(14)16(21)19(11)17-10-12-6-2-5-9-15(12)20/h2-10,20H,1H3/b17-10+
InChIKeyYRHUQCFZMPCIDO-LICLKQGHSA-N
XLogP2.29
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.29
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one (CID 135446665) is 3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1/N=C/c1ccccc1O.
What is the InChIKey of 3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is YRHUQCFZMPCIDO-LICLKQGHSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-18-14-8-4-3-7-13(14)16(21)19(11)17-10-12-6-2-5-9-15(12)20/h2-10,20H,1H3/b17-10+.
What are the key properties of 3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one has a molecular weight of 279.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 135446665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).