1-(2,4-difluorophenyl)-3-[1,6,7-trimethyl-4-(2-methylphenyl)-2-oxoquinolin-3-yl]urea

C26H23F2N3O2 — CID 10366339

IUPAC1-(2,4-difluorophenyl)-3-[1,6,7-trimethyl-4-(2-methylphenyl)-2-oxoquinolin-3-yl]urea
SMILESCc1cc2c(-c3ccccc3C)c(NC(=O)Nc3ccc(F)cc3F)c(=O)n(C)c2cc1C
InChIInChI=1S/C26H23F2N3O2/c1-14-7-5-6-8-18(14)23-19-11-15(2)16(3)12-22(19)31(4)25(32)24(23)30-26(33)29-21-10-9-17(27)13-20(21)28/h5-13H,1-4H3,(H2,29,30,33)
InChIKeyLUDZGPFTZCBLDT-UHFFFAOYSA-N
MW447.49 g/mol
LogP6.05
Rot. Bonds3

About 1-(2,4-difluorophenyl)-3-[1,6,7-trimethyl-4-(2-methylphenyl)-2-oxoquinolin-3-yl]urea

1-(2,4-difluorophenyl)-3-[1,6,7-trimethyl-4-(2-methylphenyl)-2-oxoquinolin-3-yl]urea (PubChem CID 10366339) has the molecular formula C26H23F2N3O2 and a molecular weight of 447.49 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[1,6,7-trimethyl-4-(2-methylphenyl)-2-oxoquinolin-3-yl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[1,6,7-trimethyl-4-(2-methylphenyl)-2-oxoquinolin-3-yl]urea
PubChem CID10366339
Molecular FormulaC26H23F2N3O2
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name1-(2,4-difluorophenyl)-3-[1,6,7-trimethyl-4-(2-methylphenyl)-2-oxoquinolin-3-yl]urea
SMILESCc1cc2c(-c3ccccc3C)c(NC(=O)Nc3ccc(F)cc3F)c(=O)n(C)c2cc1C
InChIInChI=1S/C26H23F2N3O2/c1-14-7-5-6-8-18(14)23-19-11-15(2)16(3)12-22(19)31(4)25(32)24(23)30-26(33)29-21-10-9-17(27)13-20(21)28/h5-13H,1-4H3,(H2,29,30,33)
InChIKeyLUDZGPFTZCBLDT-UHFFFAOYSA-N
XLogP6.05
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.49
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 108991584
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-[3-(2-chlorophenyl)-5,6-dimethyl-1-benzothiophen-2-yl]-3-(2,4-difluorophenyl)urea
CID 18688840
1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
1-(2,4-difluorophenyl)-3-[4-(3-methoxyphenyl)-1-methyl-2-oxo-1,8-naphthyridin-3-yl]urea
CID 22106152
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 46859657
1-[3-(2-chlorophenyl)-5-fluoro-1-benzofuran-2-yl]-3-(2,4-difluorophenyl)urea
CID 15285310
1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
CID 27138045
N-(2,4-difluorophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 84865788
N-(2,4-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 109000719
3-[(2,4-difluorophenyl)carbamoylamino]-4-methylbenzoic acid
CID 1297024

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[1,6,7-trimethyl-4-(2-methylphenyl)-2-oxoquinolin-3-yl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[1,6,7-trimethyl-4-(2-methylphenyl)-2-oxoquinolin-3-yl]urea (CID 10366339) is 1-(2,4-difluorophenyl)-3-[1,6,7-trimethyl-4-(2-methylphenyl)-2-oxoquinolin-3-yl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[1,6,7-trimethyl-4-(2-methylphenyl)-2-oxoquinolin-3-yl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[1,6,7-trimethyl-4-(2-methylphenyl)-2-oxoquinolin-3-yl]urea is Cc1cc2c(-c3ccccc3C)c(NC(=O)Nc3ccc(F)cc3F)c(=O)n(C)c2cc1C.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[1,6,7-trimethyl-4-(2-methylphenyl)-2-oxoquinolin-3-yl]urea?
The InChIKey is LUDZGPFTZCBLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O2/c1-14-7-5-6-8-18(14)23-19-11-15(2)16(3)12-22(19)31(4)25(32)24(23)30-26(33)29-21-10-9-17(27)13-20(21)28/h5-13H,1-4H3,(H2,29,30,33).
What are the key properties of 1-(2,4-difluorophenyl)-3-[1,6,7-trimethyl-4-(2-methylphenyl)-2-oxoquinolin-3-yl]urea?
1-(2,4-difluorophenyl)-3-[1,6,7-trimethyl-4-(2-methylphenyl)-2-oxoquinolin-3-yl]urea has a molecular weight of 447.49 g/mol, XLogP of 6.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[1,6,7-trimethyl-4-(2-methylphenyl)-2-oxoquinolin-3-yl]urea is sourced from PubChem (CID 10366339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).