2-(4-aminophenyl)-8-methoxy-3H-quinazolin-4-one

C15H13N3O2 — CID 135456692

IUPAC2-(4-aminophenyl)-8-methoxy-3H-quinazolin-4-one
SMILESCOc1cccc2c(=O)[nH]c(-c3ccc(N)cc3)nc12
InChIInChI=1S/C15H13N3O2/c1-20-12-4-2-3-11-13(12)17-14(18-15(11)19)9-5-7-10(16)8-6-9/h2-8H,16H2,1H3,(H,17,18,19)
InChIKeyOEJHWPFKCMOXFG-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.18
Rot. Bonds2

About 2-(4-aminophenyl)-8-methoxy-3H-quinazolin-4-one

2-(4-aminophenyl)-8-methoxy-3H-quinazolin-4-one (PubChem CID 135456692) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(4-aminophenyl)-8-methoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-8-methoxy-3H-quinazolin-4-one
PubChem CID135456692
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(4-aminophenyl)-8-methoxy-3H-quinazolin-4-one
SMILESCOc1cccc2c(=O)[nH]c(-c3ccc(N)cc3)nc12
InChIInChI=1S/C15H13N3O2/c1-20-12-4-2-3-11-13(12)17-14(18-15(11)19)9-5-7-10(16)8-6-9/h2-8H,16H2,1H3,(H,17,18,19)
InChIKeyOEJHWPFKCMOXFG-UHFFFAOYSA-N
XLogP2.18
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-8-methoxy-3H-quinazolin-4-one?
The IUPAC name of 2-(4-aminophenyl)-8-methoxy-3H-quinazolin-4-one (CID 135456692) is 2-(4-aminophenyl)-8-methoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-aminophenyl)-8-methoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-aminophenyl)-8-methoxy-3H-quinazolin-4-one is COc1cccc2c(=O)[nH]c(-c3ccc(N)cc3)nc12.
What is the InChIKey of 2-(4-aminophenyl)-8-methoxy-3H-quinazolin-4-one?
The InChIKey is OEJHWPFKCMOXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-12-4-2-3-11-13(12)17-14(18-15(11)19)9-5-7-10(16)8-6-9/h2-8H,16H2,1H3,(H,17,18,19).
What are the key properties of 2-(4-aminophenyl)-8-methoxy-3H-quinazolin-4-one?
2-(4-aminophenyl)-8-methoxy-3H-quinazolin-4-one has a molecular weight of 267.29 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-8-methoxy-3H-quinazolin-4-one is sourced from PubChem (CID 135456692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).