1-(2,4-difluorophenyl)-3-[6,8-dimethyl-4-(2-methylphenyl)quinolin-3-yl]urea

C25H21F2N3O — CID 10341898

IUPAC1-(2,4-difluorophenyl)-3-[6,8-dimethyl-4-(2-methylphenyl)quinolin-3-yl]urea
SMILESCc1cc(C)c2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3C)c2c1
InChIInChI=1S/C25H21F2N3O/c1-14-10-16(3)24-19(11-14)23(18-7-5-4-6-15(18)2)22(13-28-24)30-25(31)29-21-9-8-17(26)12-20(21)27/h4-13H,1-3H3,(H2,29,30,31)
InChIKeyUESRUJSKPQNTAE-UHFFFAOYSA-N
MW417.46 g/mol
LogP6.75
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-[6,8-dimethyl-4-(2-methylphenyl)quinolin-3-yl]urea

1-(2,4-difluorophenyl)-3-[6,8-dimethyl-4-(2-methylphenyl)quinolin-3-yl]urea (PubChem CID 10341898) has the molecular formula C25H21F2N3O and a molecular weight of 417.46 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[6,8-dimethyl-4-(2-methylphenyl)quinolin-3-yl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[6,8-dimethyl-4-(2-methylphenyl)quinolin-3-yl]urea
PubChem CID10341898
Molecular FormulaC25H21F2N3O
Molecular Weight417.46 g/mol
Exact Mass417.17
IUPAC Name1-(2,4-difluorophenyl)-3-[6,8-dimethyl-4-(2-methylphenyl)quinolin-3-yl]urea
SMILESCc1cc(C)c2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3C)c2c1
InChIInChI=1S/C25H21F2N3O/c1-14-10-16(3)24-19(11-14)23(18-7-5-4-6-15(18)2)22(13-28-24)30-25(31)29-21-9-8-17(26)12-20(21)27/h4-13H,1-3H3,(H2,29,30,31)
InChIKeyUESRUJSKPQNTAE-UHFFFAOYSA-N
XLogP6.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.46
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-difluorophenyl)-3-[6,8-dimethyl-4-(2-methylphenyl)quinolin-3-yl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[6,8-dimethyl-4-(2-methylphenyl)quinolin-3-yl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[6,8-dimethyl-4-(2-methylphenyl)quinolin-3-yl]urea (CID 10341898) is 1-(2,4-difluorophenyl)-3-[6,8-dimethyl-4-(2-methylphenyl)quinolin-3-yl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[6,8-dimethyl-4-(2-methylphenyl)quinolin-3-yl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[6,8-dimethyl-4-(2-methylphenyl)quinolin-3-yl]urea is Cc1cc(C)c2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3C)c2c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[6,8-dimethyl-4-(2-methylphenyl)quinolin-3-yl]urea?
The InChIKey is UESRUJSKPQNTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O/c1-14-10-16(3)24-19(11-14)23(18-7-5-4-6-15(18)2)22(13-28-24)30-25(31)29-21-9-8-17(26)12-20(21)27/h4-13H,1-3H3,(H2,29,30,31).
What are the key properties of 1-(2,4-difluorophenyl)-3-[6,8-dimethyl-4-(2-methylphenyl)quinolin-3-yl]urea?
1-(2,4-difluorophenyl)-3-[6,8-dimethyl-4-(2-methylphenyl)quinolin-3-yl]urea has a molecular weight of 417.46 g/mol, XLogP of 6.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[6,8-dimethyl-4-(2-methylphenyl)quinolin-3-yl]urea is sourced from PubChem (CID 10341898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).