3-(3-chloro-4-methylphenyl)-5-fluoro-2-propylquinazolin-4-one

C18H16ClFN2O — CID 144835112

IUPAC3-(3-chloro-4-methylphenyl)-5-fluoro-2-propylquinazolin-4-one
SMILESCCCc1nc2cccc(F)c2c(=O)n1-c1ccc(C)c(Cl)c1
InChIInChI=1S/C18H16ClFN2O/c1-3-5-16-21-15-7-4-6-14(20)17(15)18(23)22(16)12-9-8-11(2)13(19)10-12/h4,6-10H,3,5H2,1-2H3
InChIKeyBVXQQBJRKKLICJ-UHFFFAOYSA-N
MW330.79 g/mol
LogP4.44
Rot. Bonds3

About 3-(3-chloro-4-methylphenyl)-5-fluoro-2-propylquinazolin-4-one

3-(3-chloro-4-methylphenyl)-5-fluoro-2-propylquinazolin-4-one (PubChem CID 144835112) has the molecular formula C18H16ClFN2O and a molecular weight of 330.79 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-5-fluoro-2-propylquinazolin-4-one.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-5-fluoro-2-propylquinazolin-4-one
PubChem CID144835112
Molecular FormulaC18H16ClFN2O
Molecular Weight330.79 g/mol
Exact Mass330.09
IUPAC Name3-(3-chloro-4-methylphenyl)-5-fluoro-2-propylquinazolin-4-one
SMILESCCCc1nc2cccc(F)c2c(=O)n1-c1ccc(C)c(Cl)c1
InChIInChI=1S/C18H16ClFN2O/c1-3-5-16-21-15-7-4-6-14(20)17(15)18(23)22(16)12-9-8-11(2)13(19)10-12/h4,6-10H,3,5H2,1-2H3
InChIKeyBVXQQBJRKKLICJ-UHFFFAOYSA-N
XLogP4.44
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.79
LogP ≤ 54.44
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
5-chloro-2-propyl-3-(2,4,6-trifluorophenyl)quinazolin-4-one
CID 118493670
3-(6-amino-3-pyridinyl)-5-chloro-2-propylquinazolin-4-one
CID 134364823
2-(3-aminopropyl)-5-fluoro-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 90236609
5-bromo-3-phenyl-2-propylquinazolin-4-one
CID 142506267
3-chloro-4-(3-chloro-4-methylphenyl)-5-propyl-1,2,4-triazole
CID 55184756
2-(2,2-dimethoxyethylsulfanyl)-3-(3,4-dimethylphenyl)-5-fluoroquinazolin-4-one
CID 2727452
3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
CID 12631795
5-chloro-2-ethyl-3-(3-fluorophenyl)-8-methylquinazolin-4-one
CID 145212727
2-(3,4-difluorophenyl)-3-ethyl-8-fluoroisoquinolin-1-one
CID 144835469
2-[(1S)-1-aminoethyl]-3-(3,5-dichlorophenyl)-5-fluoroquinazolin-4-one
CID 90235762
2-[3-[(2,6-diamino-5-chloropyrimidin-4-yl)amino]propyl]-3-(3,5-difluorophenyl)-5-fluoroquinazolin-4-one
CID 90237391

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-5-fluoro-2-propylquinazolin-4-one?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-5-fluoro-2-propylquinazolin-4-one (CID 144835112) is 3-(3-chloro-4-methylphenyl)-5-fluoro-2-propylquinazolin-4-one.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-5-fluoro-2-propylquinazolin-4-one?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-5-fluoro-2-propylquinazolin-4-one is CCCc1nc2cccc(F)c2c(=O)n1-c1ccc(C)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-5-fluoro-2-propylquinazolin-4-one?
The InChIKey is BVXQQBJRKKLICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O/c1-3-5-16-21-15-7-4-6-14(20)17(15)18(23)22(16)12-9-8-11(2)13(19)10-12/h4,6-10H,3,5H2,1-2H3.
What are the key properties of 3-(3-chloro-4-methylphenyl)-5-fluoro-2-propylquinazolin-4-one?
3-(3-chloro-4-methylphenyl)-5-fluoro-2-propylquinazolin-4-one has a molecular weight of 330.79 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-5-fluoro-2-propylquinazolin-4-one is sourced from PubChem (CID 144835112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).