3-(4-chlorophenyl)-1-cyclohexyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea

C24H26ClN3O3 — CID 1430768

IUPAC3-(4-chlorophenyl)-1-cyclohexyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCOc1ccc2cc(CN(C(=O)Nc3ccc(Cl)cc3)C3CCCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C24H26ClN3O3/c1-31-21-12-7-16-13-17(23(29)27-22(16)14-21)15-28(20-5-3-2-4-6-20)24(30)26-19-10-8-18(25)9-11-19/h7-14,20H,2-6,15H2,1H3,(H,26,30)(H,27,29)
InChIKeyWEAGOXQMPNLYSR-UHFFFAOYSA-N
MW439.94 g/mol
LogP5.56
Rot. Bonds5

About 3-(4-chlorophenyl)-1-cyclohexyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea

3-(4-chlorophenyl)-1-cyclohexyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea (PubChem CID 1430768) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-cyclohexyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-cyclohexyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
PubChem CID1430768
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC Name3-(4-chlorophenyl)-1-cyclohexyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCOc1ccc2cc(CN(C(=O)Nc3ccc(Cl)cc3)C3CCCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C24H26ClN3O3/c1-31-21-12-7-16-13-17(23(29)27-22(16)14-21)15-28(20-5-3-2-4-6-20)24(30)26-19-10-8-18(25)9-11-19/h7-14,20H,2-6,15H2,1H3,(H,26,30)(H,27,29)
InChIKeyWEAGOXQMPNLYSR-UHFFFAOYSA-N
XLogP5.56
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.94
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-1-cyclohexyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea with MolForge

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Related Compounds

1-cyclopentyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 652123
1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 1430583
1-cyclopentyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 3194862
1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 1430573
1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 1462484
3-(4-chlorophenyl)-1-cyclopentyl-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]urea
CID 1437412
1-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea
CID 1430907
N-(4-chlorophenyl)-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110298893
1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 74231555
1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea
CID 1430901
1-cyclopentyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)thiourea
CID 1137649
N-cyclohexyl-4-methoxy-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1394966

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-cyclohexyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea?
The IUPAC name of 3-(4-chlorophenyl)-1-cyclohexyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea (CID 1430768) is 3-(4-chlorophenyl)-1-cyclohexyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-cyclohexyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-cyclohexyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea is COc1ccc2cc(CN(C(=O)Nc3ccc(Cl)cc3)C3CCCCC3)c(=O)[nH]c2c1.
What is the InChIKey of 3-(4-chlorophenyl)-1-cyclohexyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea?
The InChIKey is WEAGOXQMPNLYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c1-31-21-12-7-16-13-17(23(29)27-22(16)14-21)15-28(20-5-3-2-4-6-20)24(30)26-19-10-8-18(25)9-11-19/h7-14,20H,2-6,15H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 3-(4-chlorophenyl)-1-cyclohexyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea?
3-(4-chlorophenyl)-1-cyclohexyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea has a molecular weight of 439.94 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-cyclohexyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]urea is sourced from PubChem (CID 1430768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).