2-[(1S)-1-aminoethyl]-8-fluoro-3-phenylquinazolin-4-one

C16H14FN3O — CID 90233110

IUPAC2-[(1S)-1-aminoethyl]-8-fluoro-3-phenylquinazolin-4-one
SMILESC[C@H](N)c1nc2c(F)cccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C16H14FN3O/c1-10(18)15-19-14-12(8-5-9-13(14)17)16(21)20(15)11-6-3-2-4-7-11/h2-10H,18H2,1H3/t10-/m0/s1
InChIKeyVAQJQQRIDBNDRM-JTQLQIEISA-N
MW283.31 g/mol
LogP2.54
Rot. Bonds2

About 2-[(1S)-1-aminoethyl]-8-fluoro-3-phenylquinazolin-4-one

2-[(1S)-1-aminoethyl]-8-fluoro-3-phenylquinazolin-4-one (PubChem CID 90233110) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-[(1S)-1-aminoethyl]-8-fluoro-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-aminoethyl]-8-fluoro-3-phenylquinazolin-4-one
PubChem CID90233110
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-[(1S)-1-aminoethyl]-8-fluoro-3-phenylquinazolin-4-one
SMILESC[C@H](N)c1nc2c(F)cccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C16H14FN3O/c1-10(18)15-19-14-12(8-5-9-13(14)17)16(21)20(15)11-6-3-2-4-7-11/h2-10H,18H2,1H3/t10-/m0/s1
InChIKeyVAQJQQRIDBNDRM-JTQLQIEISA-N
XLogP2.54
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl-[(1S)-1-(8-fluoro-4-oxo-3-phenylquinazolin-2-yl)ethyl]carbamic acid
CID 118276359
2-[(1S)-1-aminoethyl]-8-chloro-3-(3,5-difluorophenyl)quinazolin-4-one
CID 90235637
2-[(1S)-1-aminoethyl]-3-(3,5-difluorophenyl)-8-iodoquinazolin-4-one
CID 90235932
1-[3-[2-(1-aminoethyl)-8-fluoro-4-oxoquinazolin-3-yl]phenyl]-3-(3-hydroxypropyl)urea
CID 118571784
2-[(1S)-1-aminoethyl]-3-(3-chlorophenyl)-8-methylquinazolin-4-one
CID 90235858
3-[2-(1-aminoethyl)-5,8-difluoro-4-oxoquinazolin-3-yl]benzonitrile
CID 90235841
2-[(1S)-1-aminoethyl]-5-(difluoromethyl)-3-phenylquinazolin-4-one
CID 90232930
2-(1-aminoethyl)-3-[3-(difluoromethyl)phenyl]-5-fluoroquinazolin-4-one
CID 90235829
2-(1-aminoethyl)-3-phenylthieno[3,2-d]pyrimidin-4-one
CID 59455379
2-[(1S)-1-aminoethyl]-3-(3,5-difluorophenyl)-8-fluoro-5-methylquinazolin-4-one
CID 90234981
2-[(1S)-1-aminoethyl]-3-(3,5-dichlorophenyl)-5-fluoroquinazolin-4-one
CID 90235762
2-[amino(hydroxy)methyl]-5-fluoro-3-phenylquinazolin-4-one
CID 144894826

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminoethyl]-8-fluoro-3-phenylquinazolin-4-one?
The IUPAC name of 2-[(1S)-1-aminoethyl]-8-fluoro-3-phenylquinazolin-4-one (CID 90233110) is 2-[(1S)-1-aminoethyl]-8-fluoro-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[(1S)-1-aminoethyl]-8-fluoro-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[(1S)-1-aminoethyl]-8-fluoro-3-phenylquinazolin-4-one is C[C@H](N)c1nc2c(F)cccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-[(1S)-1-aminoethyl]-8-fluoro-3-phenylquinazolin-4-one?
The InChIKey is VAQJQQRIDBNDRM-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14FN3O/c1-10(18)15-19-14-12(8-5-9-13(14)17)16(21)20(15)11-6-3-2-4-7-11/h2-10H,18H2,1H3/t10-/m0/s1.
What are the key properties of 2-[(1S)-1-aminoethyl]-8-fluoro-3-phenylquinazolin-4-one?
2-[(1S)-1-aminoethyl]-8-fluoro-3-phenylquinazolin-4-one has a molecular weight of 283.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminoethyl]-8-fluoro-3-phenylquinazolin-4-one is sourced from PubChem (CID 90233110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).