5-chloro-2-ethyl-8-fluoro-3-(5-fluoro-3-pyridinyl)quinazolin-4-one

C15H10ClF2N3O — CID 144759676

IUPAC5-chloro-2-ethyl-8-fluoro-3-(5-fluoro-3-pyridinyl)quinazolin-4-one
SMILESCCc1nc2c(F)ccc(Cl)c2c(=O)n1-c1cncc(F)c1
InChIInChI=1S/C15H10ClF2N3O/c1-2-12-20-14-11(18)4-3-10(16)13(14)15(22)21(12)9-5-8(17)6-19-7-9/h3-7H,2H2,1H3
InChIKeyVSIDCSJBMVGVCQ-UHFFFAOYSA-N
MW321.71 g/mol
LogP3.27
Rot. Bonds2

About 5-chloro-2-ethyl-8-fluoro-3-(5-fluoro-3-pyridinyl)quinazolin-4-one

5-chloro-2-ethyl-8-fluoro-3-(5-fluoro-3-pyridinyl)quinazolin-4-one (PubChem CID 144759676) has the molecular formula C15H10ClF2N3O and a molecular weight of 321.71 g/mol. Its IUPAC name is 5-chloro-2-ethyl-8-fluoro-3-(5-fluoro-3-pyridinyl)quinazolin-4-one.

Molecular Properties

Compound Name5-chloro-2-ethyl-8-fluoro-3-(5-fluoro-3-pyridinyl)quinazolin-4-one
PubChem CID144759676
Molecular FormulaC15H10ClF2N3O
Molecular Weight321.71 g/mol
Exact Mass321.05
IUPAC Name5-chloro-2-ethyl-8-fluoro-3-(5-fluoro-3-pyridinyl)quinazolin-4-one
SMILESCCc1nc2c(F)ccc(Cl)c2c(=O)n1-c1cncc(F)c1
InChIInChI=1S/C15H10ClF2N3O/c1-2-12-20-14-11(18)4-3-10(16)13(14)15(22)21(12)9-5-8(17)6-19-7-9/h3-7H,2H2,1H3
InChIKeyVSIDCSJBMVGVCQ-UHFFFAOYSA-N
XLogP3.27
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.71
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-ethyl-8-fluoro-3-(5-fluoro-3-pyridinyl)quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-ethyl-3-(3-fluorophenyl)-8-methylquinazolin-4-one
CID 145212727
1-N'-[3-[5-chloro-8-fluoro-3-(5-fluoro-3-pyridinyl)-4-oxoquinazolin-2-yl]propyl]-2-cyanopropanediimidamide
CID 123334017
5-chloro-8-fluoro-2-propyl-3-pyridin-3-ylquinazolin-4-one;2,4,6-triaminopyrimidine-5-carbonitrile
CID 144759664
3-(3,5-difluorophenyl)-2-ethyl-5,6-difluoroquinazolin-4-one
CID 135244703
3-(6-amino-4-methyl-3-pyridinyl)-5,8-dichloro-2-ethylquinazolin-4-one
CID 134364837
4,5-dichloro-3-ethyl-8-fluoro-2-methylquinoline
CID 63408775
tert-butyl N-[2-(5-chloro-8-fluoro-4-oxo-3-phenylquinazolin-2-yl)ethyl]carbamate
CID 90236466
4,5-dichloro-2-ethyl-8-fluoro-3-methylquinoline
CID 63561489
7-(4-chlorophenyl)-2-ethyl-3-(4-fluorophenyl)-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-one
CID 25015743
tert-butyl N-[2-[8-chloro-3-(3,5-difluorophenyl)-5-fluoro-4-oxoquinazolin-2-yl]ethyl]carbamate
CID 90237181
2,5-dichloro-3-ethyl-8-methylquinazolin-4-one
CID 114693017
[(1S)-1-(5-chloro-8-fluoro-4-oxo-3-pyridin-3-ylquinazolin-2-yl)-2-cyclopropylethyl]carbamic acid
CID 141422325

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-8-fluoro-3-(5-fluoro-3-pyridinyl)quinazolin-4-one?
The IUPAC name of 5-chloro-2-ethyl-8-fluoro-3-(5-fluoro-3-pyridinyl)quinazolin-4-one (CID 144759676) is 5-chloro-2-ethyl-8-fluoro-3-(5-fluoro-3-pyridinyl)quinazolin-4-one.
What is the SMILES notation for 5-chloro-2-ethyl-8-fluoro-3-(5-fluoro-3-pyridinyl)quinazolin-4-one?
The canonical SMILES for 5-chloro-2-ethyl-8-fluoro-3-(5-fluoro-3-pyridinyl)quinazolin-4-one is CCc1nc2c(F)ccc(Cl)c2c(=O)n1-c1cncc(F)c1.
What is the InChIKey of 5-chloro-2-ethyl-8-fluoro-3-(5-fluoro-3-pyridinyl)quinazolin-4-one?
The InChIKey is VSIDCSJBMVGVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N3O/c1-2-12-20-14-11(18)4-3-10(16)13(14)15(22)21(12)9-5-8(17)6-19-7-9/h3-7H,2H2,1H3.
What are the key properties of 5-chloro-2-ethyl-8-fluoro-3-(5-fluoro-3-pyridinyl)quinazolin-4-one?
5-chloro-2-ethyl-8-fluoro-3-(5-fluoro-3-pyridinyl)quinazolin-4-one has a molecular weight of 321.71 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethyl-8-fluoro-3-(5-fluoro-3-pyridinyl)quinazolin-4-one is sourced from PubChem (CID 144759676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).