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

C24H19F2N3O — CID 10092558

IUPAC1-(2,4-difluorophenyl)-3-[6-methyl-4-(2-methylphenyl)quinolin-3-yl]urea
SMILESCc1ccc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3C)c2c1
InChIInChI=1S/C24H19F2N3O/c1-14-7-9-20-18(11-14)23(17-6-4-3-5-15(17)2)22(13-27-20)29-24(30)28-21-10-8-16(25)12-19(21)26/h3-13H,1-2H3,(H2,28,29,30)
InChIKeyKGNIGUDXLBHOOL-UHFFFAOYSA-N
MW403.43 g/mol
LogP6.44
Rot. Bonds3

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

1-(2,4-difluorophenyl)-3-[6-methyl-4-(2-methylphenyl)quinolin-3-yl]urea (PubChem CID 10092558) has the molecular formula C24H19F2N3O and a molecular weight of 403.43 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[6-methyl-4-(2-methylphenyl)quinolin-3-yl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[6-methyl-4-(2-methylphenyl)quinolin-3-yl]urea
PubChem CID10092558
Molecular FormulaC24H19F2N3O
Molecular Weight403.43 g/mol
Exact Mass403.15
IUPAC Name1-(2,4-difluorophenyl)-3-[6-methyl-4-(2-methylphenyl)quinolin-3-yl]urea
SMILESCc1ccc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3C)c2c1
InChIInChI=1S/C24H19F2N3O/c1-14-7-9-20-18(11-14)23(17-6-4-3-5-15(17)2)22(13-27-20)29-24(30)28-21-10-8-16(25)12-19(21)26/h3-13H,1-2H3,(H2,28,29,30)
InChIKeyKGNIGUDXLBHOOL-UHFFFAOYSA-N
XLogP6.44
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.43
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[6-methyl-4-(2-methylphenyl)quinolin-3-yl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[6-methyl-4-(2-methylphenyl)quinolin-3-yl]urea (CID 10092558) is 1-(2,4-difluorophenyl)-3-[6-methyl-4-(2-methylphenyl)quinolin-3-yl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[6-methyl-4-(2-methylphenyl)quinolin-3-yl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[6-methyl-4-(2-methylphenyl)quinolin-3-yl]urea is Cc1ccc2ncc(NC(=O)Nc3ccc(F)cc3F)c(-c3ccccc3C)c2c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[6-methyl-4-(2-methylphenyl)quinolin-3-yl]urea?
The InChIKey is KGNIGUDXLBHOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O/c1-14-7-9-20-18(11-14)23(17-6-4-3-5-15(17)2)22(13-27-20)29-24(30)28-21-10-8-16(25)12-19(21)26/h3-13H,1-2H3,(H2,28,29,30).
What are the key properties of 1-(2,4-difluorophenyl)-3-[6-methyl-4-(2-methylphenyl)quinolin-3-yl]urea?
1-(2,4-difluorophenyl)-3-[6-methyl-4-(2-methylphenyl)quinolin-3-yl]urea has a molecular weight of 403.43 g/mol, XLogP of 6.44, 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-methyl-4-(2-methylphenyl)quinolin-3-yl]urea is sourced from PubChem (CID 10092558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).