3-(2-chlorophenyl)-1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea

C23H24ClN3O2 — CID 1449416

IUPAC3-(2-chlorophenyl)-1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3Cl)C3CCCC3)cc2c1
InChIInChI=1S/C23H24ClN3O2/c1-15-10-11-20-16(12-15)13-17(22(28)25-20)14-27(18-6-2-3-7-18)23(29)26-21-9-5-4-8-19(21)24/h4-5,8-13,18H,2-3,6-7,14H2,1H3,(H,25,28)(H,26,29)
InChIKeyYKBVCKPWOXGHLC-UHFFFAOYSA-N
MW409.92 g/mol
LogP5.47
Rot. Bonds4

About 3-(2-chlorophenyl)-1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea

3-(2-chlorophenyl)-1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (PubChem CID 1449416) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
PubChem CID1449416
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name3-(2-chlorophenyl)-1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3Cl)C3CCCC3)cc2c1
InChIInChI=1S/C23H24ClN3O2/c1-15-10-11-20-16(12-15)13-17(22(28)25-20)14-27(18-6-2-3-7-18)23(29)26-21-9-5-4-8-19(21)24/h4-5,8-13,18H,2-3,6-7,14H2,1H3,(H,25,28)(H,26,29)
InChIKeyYKBVCKPWOXGHLC-UHFFFAOYSA-N
XLogP5.47
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.92
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2-chlorophenyl)-1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea with MolForge

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Related Compounds

3-(2-chlorophenyl)-1-cyclopropyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1457667
3-(2-chlorophenyl)-1-cyclohexyl-1-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]urea
CID 6498545
1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyphenyl)urea
CID 3194801
1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methylphenyl)thiourea
CID 1141809
3-benzyl-1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1374744
1-cyclopentyl-3-ethyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 863738
1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 1430573
3-chloro-N-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1457677
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylcyclohexanecarboxamide
CID 1385389
1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-phenylethyl)thiourea
CID 1374747
1-cyclohexyl-1-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-methoxyphenyl)urea
CID 1430583
1-cyclopentyl-3-(2-fluorophenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1467407

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The IUPAC name of 3-(2-chlorophenyl)-1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (CID 1449416) is 3-(2-chlorophenyl)-1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.
What is the SMILES notation for 3-(2-chlorophenyl)-1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The canonical SMILES for 3-(2-chlorophenyl)-1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is Cc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3Cl)C3CCCC3)cc2c1.
What is the InChIKey of 3-(2-chlorophenyl)-1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The InChIKey is YKBVCKPWOXGHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-15-10-11-20-16(12-15)13-17(22(28)25-20)14-27(18-6-2-3-7-18)23(29)26-21-9-5-4-8-19(21)24/h4-5,8-13,18H,2-3,6-7,14H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 3-(2-chlorophenyl)-1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
3-(2-chlorophenyl)-1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea has a molecular weight of 409.92 g/mol, XLogP of 5.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is sourced from PubChem (CID 1449416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).