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

C16H13N3O2 — CID 765405

IUPAC3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1N=Cc1ccc(O)cc1
InChIInChI=1S/C16H13N3O2/c1-11-18-15-5-3-2-4-14(15)16(21)19(11)17-10-12-6-8-13(20)9-7-12/h2-10,20H,1H3
InChIKeyKSARCODDNODDAY-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.29
Rot. Bonds2

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

3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one (PubChem CID 765405) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
PubChem CID765405
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1N=Cc1ccc(O)cc1
InChIInChI=1S/C16H13N3O2/c1-11-18-15-5-3-2-4-14(15)16(21)19(11)17-10-12-6-8-13(20)9-7-12/h2-10,20H,1H3
InChIKeyKSARCODDNODDAY-UHFFFAOYSA-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_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150
6-bromo-3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 137125807
3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylphenyl)quinazolin-4-one
CID 135519203
6-bromo-3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 135926154
3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 52915607
2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one
CID 6906270
2-methyl-3-(pyridin-3-ylmethylideneamino)quinazolin-4-one
CID 882703
3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2643412
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
2-methyl-3-[(Z)-(4-pentoxyphenyl)methylideneamino]quinazolin-4-one
CID 9239429
3-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 2463847

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one (CID 765405) is 3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1N=Cc1ccc(O)cc1.
What is the InChIKey of 3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is KSARCODDNODDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-18-15-5-3-2-4-14(15)16(21)19(11)17-10-12-6-8-13(20)9-7-12/h2-10,20H,1H3.
What are the key properties of 3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
3-[(4-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-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 765405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).