5-chloro-2-propyl-3-(2,4,6-trifluorophenyl)quinazolin-4-one

C17H12ClF3N2O — CID 118493670

IUPAC5-chloro-2-propyl-3-(2,4,6-trifluorophenyl)quinazolin-4-one
SMILESCCCc1nc2cccc(Cl)c2c(=O)n1-c1c(F)cc(F)cc1F
InChIInChI=1S/C17H12ClF3N2O/c1-2-4-14-22-13-6-3-5-10(18)15(13)17(24)23(14)16-11(20)7-9(19)8-12(16)21/h3,5-8H,2,4H2,1H3
InChIKeyBOWLIQYPIMPSTP-UHFFFAOYSA-N
MW352.74 g/mol
LogP4.41
Rot. Bonds3

About 5-chloro-2-propyl-3-(2,4,6-trifluorophenyl)quinazolin-4-one

5-chloro-2-propyl-3-(2,4,6-trifluorophenyl)quinazolin-4-one (PubChem CID 118493670) has the molecular formula C17H12ClF3N2O and a molecular weight of 352.74 g/mol. Its IUPAC name is 5-chloro-2-propyl-3-(2,4,6-trifluorophenyl)quinazolin-4-one.

Molecular Properties

Compound Name5-chloro-2-propyl-3-(2,4,6-trifluorophenyl)quinazolin-4-one
PubChem CID118493670
Molecular FormulaC17H12ClF3N2O
Molecular Weight352.74 g/mol
Exact Mass352.06
IUPAC Name5-chloro-2-propyl-3-(2,4,6-trifluorophenyl)quinazolin-4-one
SMILESCCCc1nc2cccc(Cl)c2c(=O)n1-c1c(F)cc(F)cc1F
InChIInChI=1S/C17H12ClF3N2O/c1-2-4-14-22-13-6-3-5-10(18)15(13)17(24)23(14)16-11(20)7-9(19)8-12(16)21/h3,5-8H,2,4H2,1H3
InChIKeyBOWLIQYPIMPSTP-UHFFFAOYSA-N
XLogP4.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.74
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-difluorophenyl)-5-fluoro-2-propylquinazolin-4-one
CID 144835217
3-(3-chloro-4-methylphenyl)-5-fluoro-2-propylquinazolin-4-one
CID 144835112
3-(6-amino-3-pyridinyl)-5-chloro-2-propylquinazolin-4-one
CID 134364823
2-[(1S)-1-amino-3,3,3-trifluoropropyl]-5-chloro-3-(3,5-difluorophenyl)quinazolin-4-one
CID 90235844
2-[(1S)-1-amino-3-methylbutyl]-5-chloro-3-(3,5-difluorophenyl)quinazolin-4-one
CID 90235635
5-bromo-3-phenyl-2-propylquinazolin-4-one
CID 142506267
5-chloro-2-ethyl-3-(2-methoxyphenyl)quinazolin-4-one
CID 129190696
1-(2,6-difluorophenyl)-2-propylbenzimidazol-5-amine
CID 62506849
2-[5-chloro-3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]ethylcarbamic acid
CID 90237261
6-chloro-2-(chloromethyl)-1-(2,4,6-trifluorophenyl)benzimidazole
CID 115471671
3-butyl-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one
CID 144977630
5-chloro-2-ethyl-3-phenylquinazolin-4-one;4-(2,4-diaminopyrimidin-5-yl)-2-fluorophenol
CID 144954554

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propyl-3-(2,4,6-trifluorophenyl)quinazolin-4-one?
The IUPAC name of 5-chloro-2-propyl-3-(2,4,6-trifluorophenyl)quinazolin-4-one (CID 118493670) is 5-chloro-2-propyl-3-(2,4,6-trifluorophenyl)quinazolin-4-one.
What is the SMILES notation for 5-chloro-2-propyl-3-(2,4,6-trifluorophenyl)quinazolin-4-one?
The canonical SMILES for 5-chloro-2-propyl-3-(2,4,6-trifluorophenyl)quinazolin-4-one is CCCc1nc2cccc(Cl)c2c(=O)n1-c1c(F)cc(F)cc1F.
What is the InChIKey of 5-chloro-2-propyl-3-(2,4,6-trifluorophenyl)quinazolin-4-one?
The InChIKey is BOWLIQYPIMPSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O/c1-2-4-14-22-13-6-3-5-10(18)15(13)17(24)23(14)16-11(20)7-9(19)8-12(16)21/h3,5-8H,2,4H2,1H3.
What are the key properties of 5-chloro-2-propyl-3-(2,4,6-trifluorophenyl)quinazolin-4-one?
5-chloro-2-propyl-3-(2,4,6-trifluorophenyl)quinazolin-4-one has a molecular weight of 352.74 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-propyl-3-(2,4,6-trifluorophenyl)quinazolin-4-one is sourced from PubChem (CID 118493670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).