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

C15H13N3O — CID 135463623

IUPAC2-(4-aminophenyl)-8-methyl-3H-quinazolin-4-one
SMILESCc1cccc2c(=O)[nH]c(-c3ccc(N)cc3)nc12
InChIInChI=1S/C15H13N3O/c1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10/h2-8H,16H2,1H3,(H,17,18,19)
InChIKeyRFMIZKCQNUDSTO-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.48
Rot. Bonds1

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

2-(4-aminophenyl)-8-methyl-3H-quinazolin-4-one (PubChem CID 135463623) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(4-aminophenyl)-8-methyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-8-methyl-3H-quinazolin-4-one
PubChem CID135463623
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-(4-aminophenyl)-8-methyl-3H-quinazolin-4-one
SMILESCc1cccc2c(=O)[nH]c(-c3ccc(N)cc3)nc12
InChIInChI=1S/C15H13N3O/c1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10/h2-8H,16H2,1H3,(H,17,18,19)
InChIKeyRFMIZKCQNUDSTO-UHFFFAOYSA-N
XLogP2.48
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methyl-3H-quinazolin-4-one?
The IUPAC name of 2-(4-aminophenyl)-8-methyl-3H-quinazolin-4-one (CID 135463623) is 2-(4-aminophenyl)-8-methyl-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-aminophenyl)-8-methyl-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-aminophenyl)-8-methyl-3H-quinazolin-4-one is Cc1cccc2c(=O)[nH]c(-c3ccc(N)cc3)nc12.
What is the InChIKey of 2-(4-aminophenyl)-8-methyl-3H-quinazolin-4-one?
The InChIKey is RFMIZKCQNUDSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10/h2-8H,16H2,1H3,(H,17,18,19).
What are the key properties of 2-(4-aminophenyl)-8-methyl-3H-quinazolin-4-one?
2-(4-aminophenyl)-8-methyl-3H-quinazolin-4-one has a molecular weight of 251.29 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-8-methyl-3H-quinazolin-4-one is sourced from PubChem (CID 135463623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).