3-(4-aminophenyl)-6-fluoro-2-methylquinazolin-4-one

C15H12FN3O — CID 171649552

IUPAC3-(4-aminophenyl)-6-fluoro-2-methylquinazolin-4-one
SMILESCc1nc2ccc(F)cc2c(=O)n1-c1ccc(N)cc1
InChIInChI=1S/C15H12FN3O/c1-9-18-14-7-2-10(16)8-13(14)15(20)19(9)12-5-3-11(17)4-6-12/h2-8H,17H2,1H3
InChIKeyHJRCOMZCOVXWDN-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.42
Rot. Bonds1

About 3-(4-aminophenyl)-6-fluoro-2-methylquinazolin-4-one

3-(4-aminophenyl)-6-fluoro-2-methylquinazolin-4-one (PubChem CID 171649552) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 3-(4-aminophenyl)-6-fluoro-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-(4-aminophenyl)-6-fluoro-2-methylquinazolin-4-one
PubChem CID171649552
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name3-(4-aminophenyl)-6-fluoro-2-methylquinazolin-4-one
SMILESCc1nc2ccc(F)cc2c(=O)n1-c1ccc(N)cc1
InChIInChI=1S/C15H12FN3O/c1-9-18-14-7-2-10(16)8-13(14)15(20)19(9)12-5-3-11(17)4-6-12/h2-8H,17H2,1H3
InChIKeyHJRCOMZCOVXWDN-UHFFFAOYSA-N
XLogP2.42
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-6-fluoro-2-methylquinazolin-4-one?
The IUPAC name of 3-(4-aminophenyl)-6-fluoro-2-methylquinazolin-4-one (CID 171649552) is 3-(4-aminophenyl)-6-fluoro-2-methylquinazolin-4-one.
What is the SMILES notation for 3-(4-aminophenyl)-6-fluoro-2-methylquinazolin-4-one?
The canonical SMILES for 3-(4-aminophenyl)-6-fluoro-2-methylquinazolin-4-one is Cc1nc2ccc(F)cc2c(=O)n1-c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-6-fluoro-2-methylquinazolin-4-one?
The InChIKey is HJRCOMZCOVXWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-9-18-14-7-2-10(16)8-13(14)15(20)19(9)12-5-3-11(17)4-6-12/h2-8H,17H2,1H3.
What are the key properties of 3-(4-aminophenyl)-6-fluoro-2-methylquinazolin-4-one?
3-(4-aminophenyl)-6-fluoro-2-methylquinazolin-4-one has a molecular weight of 269.28 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-6-fluoro-2-methylquinazolin-4-one is sourced from PubChem (CID 171649552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).