6-chloro-3-(2,4-difluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one

C24H15ClF2N4O2S — CID 136966181

IUPAC6-chloro-3-(2,4-difluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one
SMILESCC(Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C24H15ClF2N4O2S/c1-12(21-28-18-5-3-2-4-15(18)22(32)30-21)34-24-29-19-8-6-13(25)10-16(19)23(33)31(24)20-9-7-14(26)11-17(20)27/h2-12H,1H3,(H,28,30,32)
InChIKeyOMFXFAGXGWESIS-UHFFFAOYSA-N
MW496.93 g/mol
LogP5.41
Rot. Bonds4

About 6-chloro-3-(2,4-difluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one

6-chloro-3-(2,4-difluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one (PubChem CID 136966181) has the molecular formula C24H15ClF2N4O2S and a molecular weight of 496.93 g/mol. Its IUPAC name is 6-chloro-3-(2,4-difluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2,4-difluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one
PubChem CID136966181
Molecular FormulaC24H15ClF2N4O2S
Molecular Weight496.93 g/mol
Exact Mass496.06
IUPAC Name6-chloro-3-(2,4-difluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one
SMILESCC(Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C24H15ClF2N4O2S/c1-12(21-28-18-5-3-2-4-15(18)22(32)30-21)34-24-29-19-8-6-13(25)10-16(19)23(33)31(24)20-9-7-14(26)11-17(20)27/h2-12H,1H3,(H,28,30,32)
InChIKeyOMFXFAGXGWESIS-UHFFFAOYSA-N
XLogP5.41
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.93
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-3-(2,4-difluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]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

3-(2,4-difluorophenyl)-2-propan-2-ylsulfanylquinazolin-4-one
CID 2365337
2-[(1S)-1-[5-chloro-1-(2-methylpropyl)benzimidazol-2-yl]sulfanylethyl]-3H-quinazolin-4-one
CID 135767559
3-(2,4-difluorophenyl)-2-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]quinazolin-4-one
CID 75863016
2-[(1R)-1-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 41449853
3-(2,4-difluorophenyl)-2-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]quinazolin-4-one
CID 46824343
2-[1-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3H-quinazolin-4-one
CID 135569795
2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 16532167
2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 41326830
2-[(1R)-1-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylethyl]-3H-quinazolin-4-one
CID 135617406
2-[(1S)-1-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]ethyl]-3H-quinazolin-4-one
CID 135766351
2-[(1R)-1-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3H-quinazolin-4-one
CID 135744526
(2S)-2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)propanamide
CID 2586102

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,4-difluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one?
The IUPAC name of 6-chloro-3-(2,4-difluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one (CID 136966181) is 6-chloro-3-(2,4-difluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 6-chloro-3-(2,4-difluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one?
The canonical SMILES for 6-chloro-3-(2,4-difluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one is CC(Sc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 6-chloro-3-(2,4-difluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one?
The InChIKey is OMFXFAGXGWESIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClF2N4O2S/c1-12(21-28-18-5-3-2-4-15(18)22(32)30-21)34-24-29-19-8-6-13(25)10-16(19)23(33)31(24)20-9-7-14(26)11-17(20)27/h2-12H,1H3,(H,28,30,32).
What are the key properties of 6-chloro-3-(2,4-difluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one?
6-chloro-3-(2,4-difluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one has a molecular weight of 496.93 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,4-difluorophenyl)-2-[1-(4-oxo-3H-quinazolin-2-yl)ethylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 136966181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).