3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one

C21H16FN3O — CID 3389245

IUPAC3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccc(F)cc2)n1NCc1ccccc1
InChIInChI=1S/C21H16FN3O/c22-17-12-10-16(11-13-17)20-24-19-9-5-4-8-18(19)21(26)25(20)23-14-15-6-2-1-3-7-15/h1-13,23H,14H2
InChIKeyXYIWBSFVGJBPHY-UHFFFAOYSA-N
MW345.38 g/mol
LogP3.95
Rot. Bonds4

About 3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one

3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one (PubChem CID 3389245) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is 3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one
PubChem CID3389245
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccc(F)cc2)n1NCc1ccccc1
InChIInChI=1S/C21H16FN3O/c22-17-12-10-16(11-13-17)20-24-19-9-5-4-8-18(19)21(26)25(20)23-14-15-6-2-1-3-7-15/h1-13,23H,14H2
InChIKeyXYIWBSFVGJBPHY-UHFFFAOYSA-N
XLogP3.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromophenyl)methylamino]-2-(4-hydroxyphenyl)quinazolin-4-one
CID 135871074
N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23932693
3-[(4-bromophenyl)methylamino]-2-(4-fluorophenyl)pyrido[3,4-d]pyrimidin-4-one
CID 25195810
3-[(4-bromophenyl)methylamino]-2-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-one
CID 25197257
2-(4-fluorophenyl)-7-methyl-3-[[4-(trifluoromethyl)phenyl]methylamino]quinazolin-4-one
CID 24991648
3-[(4-methoxyphenyl)methylamino]-2-(3-methylphenyl)quinazolin-4-one
CID 23907241
4-butyl-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23824051
3-[(4-bromophenyl)methylamino]-2-(3,5-dimethoxyphenyl)quinazolin-4-one
CID 24990560
2-(3-methylphenyl)-3-[(3-phenoxyphenyl)methylamino]quinazolin-4-one
CID 23769692
4-(diethylamino)-N-[2-(4-fluorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23766664
3-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)thieno[3,2-d]pyrimidin-4-one
CID 25196128
N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 23995928

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one?
The IUPAC name of 3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one (CID 3389245) is 3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one.
What is the SMILES notation for 3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one?
The canonical SMILES for 3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one is O=c1c2ccccc2nc(-c2ccc(F)cc2)n1NCc1ccccc1.
What is the InChIKey of 3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one?
The InChIKey is XYIWBSFVGJBPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c22-17-12-10-16(11-13-17)20-24-19-9-5-4-8-18(19)21(26)25(20)23-14-15-6-2-1-3-7-15/h1-13,23H,14H2.
What are the key properties of 3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one?
3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one has a molecular weight of 345.38 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-2-(4-fluorophenyl)quinazolin-4-one is sourced from PubChem (CID 3389245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).