3-(3-chlorophenyl)-1-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea

C24H26ClN3O2 — CID 23824039

IUPAC3-(3-chlorophenyl)-1-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCc1cccc2cc(CN(C(=O)Nc3cccc(Cl)c3)C3CCCCC3)c(=O)[nH]c12
InChIInChI=1S/C24H26ClN3O2/c1-16-7-5-8-17-13-18(23(29)27-22(16)17)15-28(21-11-3-2-4-12-21)24(30)26-20-10-6-9-19(25)14-20/h5-10,13-14,21H,2-4,11-12,15H2,1H3,(H,26,30)(H,27,29)
InChIKeyCSTMSIUEQGXNJR-UHFFFAOYSA-N
MW423.94 g/mol
LogP5.86
Rot. Bonds4

About 3-(3-chlorophenyl)-1-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea

3-(3-chlorophenyl)-1-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (PubChem CID 23824039) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
PubChem CID23824039
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC Name3-(3-chlorophenyl)-1-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCc1cccc2cc(CN(C(=O)Nc3cccc(Cl)c3)C3CCCCC3)c(=O)[nH]c12
InChIInChI=1S/C24H26ClN3O2/c1-16-7-5-8-17-13-18(23(29)27-22(16)17)15-28(21-11-3-2-4-12-21)24(30)26-20-10-6-9-19(25)14-20/h5-10,13-14,21H,2-4,11-12,15H2,1H3,(H,26,30)(H,27,29)
InChIKeyCSTMSIUEQGXNJR-UHFFFAOYSA-N
XLogP5.86
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.94
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 769064
1-cyclopentyl-3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1467407
3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1467390
3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1374885
3-(4-chlorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(oxolan-2-ylmethyl)urea
CID 3194371
N-cyclopentyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]oxolane-2-carboxamide
CID 3725789
N-cyclohexyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitrobenzamide
CID 4005326
1-cyclopentyl-3-(4-ethoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1157155
N-cyclopentyl-3-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1445613
1-cyclohexyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 1462480
1-cyclopentyl-3-[3-(dimethylamino)propyl]-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 3169907
3-(3-chlorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)thiourea
CID 1374900

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The IUPAC name of 3-(3-chlorophenyl)-1-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (CID 23824039) is 3-(3-chlorophenyl)-1-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The canonical SMILES for 3-(3-chlorophenyl)-1-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is Cc1cccc2cc(CN(C(=O)Nc3cccc(Cl)c3)C3CCCCC3)c(=O)[nH]c12.
What is the InChIKey of 3-(3-chlorophenyl)-1-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The InChIKey is CSTMSIUEQGXNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c1-16-7-5-8-17-13-18(23(29)27-22(16)17)15-28(21-11-3-2-4-12-21)24(30)26-20-10-6-9-19(25)14-20/h5-10,13-14,21H,2-4,11-12,15H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 3-(3-chlorophenyl)-1-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
3-(3-chlorophenyl)-1-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea has a molecular weight of 423.94 g/mol, XLogP of 5.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is sourced from PubChem (CID 23824039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).