2-(1-aminoethyl)-5-bromo-3-(3-fluorophenyl)quinazolin-4-one

C16H13BrFN3O — CID 90235944

IUPAC2-(1-aminoethyl)-5-bromo-3-(3-fluorophenyl)quinazolin-4-one
SMILESCC(N)c1nc2cccc(Br)c2c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C16H13BrFN3O/c1-9(19)15-20-13-7-3-6-12(17)14(13)16(22)21(15)11-5-2-4-10(18)8-11/h2-9H,19H2,1H3
InChIKeyGAXCZMSVBQSIBR-UHFFFAOYSA-N
MW362.20 g/mol
LogP3.31
Rot. Bonds2

About 2-(1-aminoethyl)-5-bromo-3-(3-fluorophenyl)quinazolin-4-one

2-(1-aminoethyl)-5-bromo-3-(3-fluorophenyl)quinazolin-4-one (PubChem CID 90235944) has the molecular formula C16H13BrFN3O and a molecular weight of 362.20 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-bromo-3-(3-fluorophenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-bromo-3-(3-fluorophenyl)quinazolin-4-one
PubChem CID90235944
Molecular FormulaC16H13BrFN3O
Molecular Weight362.20 g/mol
Exact Mass361.02
IUPAC Name2-(1-aminoethyl)-5-bromo-3-(3-fluorophenyl)quinazolin-4-one
SMILESCC(N)c1nc2cccc(Br)c2c(=O)n1-c1cccc(F)c1
InChIInChI=1S/C16H13BrFN3O/c1-9(19)15-20-13-7-3-6-12(17)14(13)16(22)21(15)11-5-2-4-10(18)8-11/h2-9H,19H2,1H3
InChIKeyGAXCZMSVBQSIBR-UHFFFAOYSA-N
XLogP3.31
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.20
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-amino-2-methylpropyl)-5-bromo-3-phenylquinazolin-4-one;hydrochloride
CID 155191430
2-(1-aminoethyl)-3-[3-(difluoromethyl)phenyl]-5-fluoroquinazolin-4-one
CID 90235829
2-(1-aminoethyl)-3-(3,5-difluorophenyl)-5-(trifluoromethyl)quinazolin-4-one
CID 90233051
2-[(1S)-1-aminoethyl]-3-(3,5-difluorophenyl)-5-methylsulfonylquinazolin-4-one
CID 90235143
2-[(1S)-1-aminoethyl]-3-(3,5-difluorophenyl)-4-oxoquinazoline-5-carbonitrile
CID 90235732
2-[(1S)-1-aminoethyl]-3-(3,5-dichlorophenyl)-5-fluoroquinazolin-4-one
CID 90235762
2-[(1S)-1-aminoethyl]-5-chloro-3-[3-(difluoromethyl)phenyl]quinazolin-4-one
CID 90234520
2-[(1S)-1-aminoethyl]-5-(difluoromethyl)-3-phenylquinazolin-4-one
CID 90232930
2-(1-aminoethyl)-3-[3-(difluoromethyl)phenyl]-5-methylsulfonylquinazolin-4-one
CID 90235952
4-[2-(1-aminoethyl)-3-(3,5-difluorophenyl)-4-oxoquinazolin-5-yl]butanoic acid
CID 118677599
2-[(1S)-1-aminopropyl]-6-fluoro-3-(3-fluorophenyl)quinazolin-4-one
CID 90235392
3-(1-aminoethyl)-4-(3-fluorophenyl)-1H-1,2,4-triazol-5-one
CID 81480456

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-bromo-3-(3-fluorophenyl)quinazolin-4-one?
The IUPAC name of 2-(1-aminoethyl)-5-bromo-3-(3-fluorophenyl)quinazolin-4-one (CID 90235944) is 2-(1-aminoethyl)-5-bromo-3-(3-fluorophenyl)quinazolin-4-one.
What is the SMILES notation for 2-(1-aminoethyl)-5-bromo-3-(3-fluorophenyl)quinazolin-4-one?
The canonical SMILES for 2-(1-aminoethyl)-5-bromo-3-(3-fluorophenyl)quinazolin-4-one is CC(N)c1nc2cccc(Br)c2c(=O)n1-c1cccc(F)c1.
What is the InChIKey of 2-(1-aminoethyl)-5-bromo-3-(3-fluorophenyl)quinazolin-4-one?
The InChIKey is GAXCZMSVBQSIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN3O/c1-9(19)15-20-13-7-3-6-12(17)14(13)16(22)21(15)11-5-2-4-10(18)8-11/h2-9H,19H2,1H3.
What are the key properties of 2-(1-aminoethyl)-5-bromo-3-(3-fluorophenyl)quinazolin-4-one?
2-(1-aminoethyl)-5-bromo-3-(3-fluorophenyl)quinazolin-4-one has a molecular weight of 362.20 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-bromo-3-(3-fluorophenyl)quinazolin-4-one is sourced from PubChem (CID 90235944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).