1-[8-chloro-4-(2-chlorophenyl)-6-methylquinolin-3-yl]-3-(2,4-difluorophenyl)urea

C23H15Cl2F2N3O — CID 10389420

IUPAC1-[8-chloro-4-(2-chlorophenyl)-6-methylquinolin-3-yl]-3-(2,4-difluorophenyl)urea
SMILESCc1cc(Cl)c2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c2c1
InChIInChI=1S/C23H15Cl2F2N3O/c1-12-8-15-21(14-4-2-3-5-16(14)24)20(11-28-22(15)17(25)9-12)30-23(31)29-19-7-6-13(26)10-18(19)27/h2-11H,1H3,(H2,29,30,31)
InChIKeyISEBTYLPIRENJV-UHFFFAOYSA-N
MW458.30 g/mol
LogP7.44
Rot. Bonds3

About 1-[8-chloro-4-(2-chlorophenyl)-6-methylquinolin-3-yl]-3-(2,4-difluorophenyl)urea

1-[8-chloro-4-(2-chlorophenyl)-6-methylquinolin-3-yl]-3-(2,4-difluorophenyl)urea (PubChem CID 10389420) has the molecular formula C23H15Cl2F2N3O and a molecular weight of 458.30 g/mol. Its IUPAC name is 1-[8-chloro-4-(2-chlorophenyl)-6-methylquinolin-3-yl]-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-[8-chloro-4-(2-chlorophenyl)-6-methylquinolin-3-yl]-3-(2,4-difluorophenyl)urea
PubChem CID10389420
Molecular FormulaC23H15Cl2F2N3O
Molecular Weight458.30 g/mol
Exact Mass457.06
IUPAC Name1-[8-chloro-4-(2-chlorophenyl)-6-methylquinolin-3-yl]-3-(2,4-difluorophenyl)urea
SMILESCc1cc(Cl)c2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c2c1
InChIInChI=1S/C23H15Cl2F2N3O/c1-12-8-15-21(14-4-2-3-5-16(14)24)20(11-28-22(15)17(25)9-12)30-23(31)29-19-7-6-13(26)10-18(19)27/h2-11H,1H3,(H2,29,30,31)
InChIKeyISEBTYLPIRENJV-UHFFFAOYSA-N
XLogP7.44
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.30
LogP ≤ 57.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[8-chloro-4-(2-chlorophenyl)-6-methylquinolin-3-yl]-3-(2,4-difluorophenyl)urea 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

N-(4-(2-Chlorophenyl)-6,7-dimethyl-3-quinolyl)-N'-(2,4-difluorophenyl)urea
CID 125289
6-Chloro-3-[3-(2,4-difluorophenyl)ureido]-4-phenylquinoline
CID 9978893
1-[4-(2-Chloro-phenyl)-6-methyl-quinolin-3-yl]-3-(2,4-difluoro-phenyl)-urea
CID 9979729
1-[6-Chloro-4-(2-chloro-phenyl)-quinolin-3-yl]-3-(2,4-difluoro-phenyl)-urea
CID 9980883
1-[4-(2-Chloro-phenyl)-6-ethyl-quinolin-3-yl]-3-(2,4-difluoro-phenyl)-urea
CID 10026104
1-[6-Chloro-4-(2-chloro-phenyl)-8-methyl-quinolin-3-yl]-3-(2,4-difluoro-phenyl)-urea
CID 10027157
1-[4-(2-Chloro-phenyl)-quinolin-3-yl]-3-(2,4-difluoro-phenyl)-urea
CID 10047136
4-(2-Chlorophenyl)-3-[3-(2,4-difluoro-phenyl)ureido]-6,8-dimethylquinoline
CID 10048726
1-[4-(2-Chloro-phenyl)-6,8-dimethyl-quinolin-3-yl]-3-(2,4,6-trifluoro-phenyl)-urea
CID 10049684
1-[4-(2-Chloro-phenyl)-6,8-dimethyl-quinolin-3-yl]-3-(2,6-diisopropyl-phenyl)-urea
CID 10074129
1-(2,4-Difluoro-phenyl)-3-(6-methyl-4-o-tolyl-quinolin-3-yl)-urea
CID 10092558
1-[4-(2-Chloro-phenyl)-6-isopropyl-quinolin-3-yl]-3-(2,4-difluoro-phenyl)-urea
CID 10253303

Frequently Asked Questions

What is the IUPAC name of 1-[8-chloro-4-(2-chlorophenyl)-6-methylquinolin-3-yl]-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-[8-chloro-4-(2-chlorophenyl)-6-methylquinolin-3-yl]-3-(2,4-difluorophenyl)urea (CID 10389420) is 1-[8-chloro-4-(2-chlorophenyl)-6-methylquinolin-3-yl]-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-[8-chloro-4-(2-chlorophenyl)-6-methylquinolin-3-yl]-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-[8-chloro-4-(2-chlorophenyl)-6-methylquinolin-3-yl]-3-(2,4-difluorophenyl)urea is Cc1cc(Cl)c2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3Cl)c2c1.
What is the InChIKey of 1-[8-chloro-4-(2-chlorophenyl)-6-methylquinolin-3-yl]-3-(2,4-difluorophenyl)urea?
The InChIKey is ISEBTYLPIRENJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2F2N3O/c1-12-8-15-21(14-4-2-3-5-16(14)24)20(11-28-22(15)17(25)9-12)30-23(31)29-19-7-6-13(26)10-18(19)27/h2-11H,1H3,(H2,29,30,31).
What are the key properties of 1-[8-chloro-4-(2-chlorophenyl)-6-methylquinolin-3-yl]-3-(2,4-difluorophenyl)urea?
1-[8-chloro-4-(2-chlorophenyl)-6-methylquinolin-3-yl]-3-(2,4-difluorophenyl)urea has a molecular weight of 458.30 g/mol, XLogP of 7.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-chloro-4-(2-chlorophenyl)-6-methylquinolin-3-yl]-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 10389420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).