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

C21H20ClN3O2 — CID 1457667

IUPAC3-(2-chlorophenyl)-1-cyclopropyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3Cl)C3CC3)cc2c1
InChIInChI=1S/C21H20ClN3O2/c1-13-6-9-18-14(10-13)11-15(20(26)23-18)12-25(16-7-8-16)21(27)24-19-5-3-2-4-17(19)22/h2-6,9-11,16H,7-8,12H2,1H3,(H,23,26)(H,24,27)
InChIKeyKIPUKBVNGPXRDM-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.69
Rot. Bonds4

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

3-(2-chlorophenyl)-1-cyclopropyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (PubChem CID 1457667) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-cyclopropyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-cyclopropyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
PubChem CID1457667
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name3-(2-chlorophenyl)-1-cyclopropyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
SMILESCc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3Cl)C3CC3)cc2c1
InChIInChI=1S/C21H20ClN3O2/c1-13-6-9-18-14(10-13)11-15(20(26)23-18)12-25(16-7-8-16)21(27)24-19-5-3-2-4-17(19)22/h2-6,9-11,16H,7-8,12H2,1H3,(H,23,26)(H,24,27)
InChIKeyKIPUKBVNGPXRDM-UHFFFAOYSA-N
XLogP4.69
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

3-(2-chlorophenyl)-1-cyclopentyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1449416
3-chloro-N-cyclopropyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1457677
N-[(2-chlorophenyl)methyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1453499
3-(2-chlorophenyl)-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(4-methylphenyl)methyl]urea
CID 3194893
3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 1430395
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
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-(3-methylphenyl)thiourea
CID 1141809
3-(2-chlorophenyl)-1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(3-methylphenyl)ethyl]urea
CID 3194489
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

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-cyclopropyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The IUPAC name of 3-(2-chlorophenyl)-1-cyclopropyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea (CID 1457667) is 3-(2-chlorophenyl)-1-cyclopropyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea.
What is the SMILES notation for 3-(2-chlorophenyl)-1-cyclopropyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The canonical SMILES for 3-(2-chlorophenyl)-1-cyclopropyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is Cc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3Cl)C3CC3)cc2c1.
What is the InChIKey of 3-(2-chlorophenyl)-1-cyclopropyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
The InChIKey is KIPUKBVNGPXRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-13-6-9-18-14(10-13)11-15(20(26)23-18)12-25(16-7-8-16)21(27)24-19-5-3-2-4-17(19)22/h2-6,9-11,16H,7-8,12H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 3-(2-chlorophenyl)-1-cyclopropyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea?
3-(2-chlorophenyl)-1-cyclopropyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea has a molecular weight of 381.86 g/mol, XLogP of 4.69, 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-cyclopropyl-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea is sourced from PubChem (CID 1457667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).