2-[amino(hydroxy)methyl]-5-fluoro-3-phenylquinazolin-4-one

C15H12FN3O2 — CID 144894826

IUPAC2-[amino(hydroxy)methyl]-5-fluoro-3-phenylquinazolin-4-one
SMILESNC(O)c1nc2cccc(F)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C15H12FN3O2/c16-10-7-4-8-11-12(10)15(21)19(14(18-11)13(17)20)9-5-2-1-3-6-9/h1-8,13,20H,17H2
InChIKeyBWZLRFTVJGVBEW-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.47
Rot. Bonds2

About 2-[amino(hydroxy)methyl]-5-fluoro-3-phenylquinazolin-4-one

2-[amino(hydroxy)methyl]-5-fluoro-3-phenylquinazolin-4-one (PubChem CID 144894826) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-[amino(hydroxy)methyl]-5-fluoro-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[amino(hydroxy)methyl]-5-fluoro-3-phenylquinazolin-4-one
PubChem CID144894826
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name2-[amino(hydroxy)methyl]-5-fluoro-3-phenylquinazolin-4-one
SMILESNC(O)c1nc2cccc(F)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C15H12FN3O2/c16-10-7-4-8-11-12(10)15(21)19(14(18-11)13(17)20)9-5-2-1-3-6-9/h1-8,13,20H,17H2
InChIKeyBWZLRFTVJGVBEW-UHFFFAOYSA-N
XLogP1.47
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(1R)-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl] acetate
CID 121455170
2-(1-aminoethyl)-3-[3-(difluoromethyl)phenyl]-5-fluoroquinazolin-4-one
CID 90235829
lithium 5-fluoro-4-oxo-3-phenylquinazoline-2-carboxylate
CID 139035725
2-[(1S)-1-aminoethyl]-3-(3,5-dichlorophenyl)-5-fluoroquinazolin-4-one
CID 90235762
2-[(1S)-1-aminoethyl]-5-(difluoromethyl)-3-phenylquinazolin-4-one
CID 90232930
2-(2-chlorophenyl)-5-fluoro-3-phenylquinazolin-4-one
CID 155671982
tert-butyl N-[(1S)-1-deuterio-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl]carbamate
CID 140814473
2-(1-amino-2-methylpropyl)-5-bromo-3-phenylquinazolin-4-one;hydrochloride
CID 155191430
[(2S)-2-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)-3,3-dimethylbutan-2-yl] carbamate
CID 122655078
5-fluoro-3-phenyl-2-[(1S)-1-(5H-pyrrolo[2,3-d]pyrimidin-4-ylamino)propyl]quinazolin-4-one
CID 147972305
2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride
CID 155191424
2-(1-aminopropyl)-3-[3-(difluoromethyl)-5-fluorophenyl]-5-fluoroquinazolin-4-one
CID 90235239

Frequently Asked Questions

What is the IUPAC name of 2-[amino(hydroxy)methyl]-5-fluoro-3-phenylquinazolin-4-one?
The IUPAC name of 2-[amino(hydroxy)methyl]-5-fluoro-3-phenylquinazolin-4-one (CID 144894826) is 2-[amino(hydroxy)methyl]-5-fluoro-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[amino(hydroxy)methyl]-5-fluoro-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[amino(hydroxy)methyl]-5-fluoro-3-phenylquinazolin-4-one is NC(O)c1nc2cccc(F)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-[amino(hydroxy)methyl]-5-fluoro-3-phenylquinazolin-4-one?
The InChIKey is BWZLRFTVJGVBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-10-7-4-8-11-12(10)15(21)19(14(18-11)13(17)20)9-5-2-1-3-6-9/h1-8,13,20H,17H2.
What are the key properties of 2-[amino(hydroxy)methyl]-5-fluoro-3-phenylquinazolin-4-one?
2-[amino(hydroxy)methyl]-5-fluoro-3-phenylquinazolin-4-one has a molecular weight of 285.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(hydroxy)methyl]-5-fluoro-3-phenylquinazolin-4-one is sourced from PubChem (CID 144894826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).