1-(5-chloroquinolin-8-yl)-3-cyclopentylurea

C15H16ClN3O — CID 47201915

IUPAC1-(5-chloroquinolin-8-yl)-3-cyclopentylurea
SMILESO=C(Nc1ccc(Cl)c2cccnc12)NC1CCCC1
InChIInChI=1S/C15H16ClN3O/c16-12-7-8-13(14-11(12)6-3-9-17-14)19-15(20)18-10-4-1-2-5-10/h3,6-10H,1-2,4-5H2,(H2,18,19,20)
InChIKeyXAGINGGCGRRSKB-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.95
Rot. Bonds2

About 1-(5-chloroquinolin-8-yl)-3-cyclopentylurea

1-(5-chloroquinolin-8-yl)-3-cyclopentylurea (PubChem CID 47201915) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 1-(5-chloroquinolin-8-yl)-3-cyclopentylurea.

Molecular Properties

Compound Name1-(5-chloroquinolin-8-yl)-3-cyclopentylurea
PubChem CID47201915
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name1-(5-chloroquinolin-8-yl)-3-cyclopentylurea
SMILESO=C(Nc1ccc(Cl)c2cccnc12)NC1CCCC1
InChIInChI=1S/C15H16ClN3O/c16-12-7-8-13(14-11(12)6-3-9-17-14)19-15(20)18-10-4-1-2-5-10/h3,6-10H,1-2,4-5H2,(H2,18,19,20)
InChIKeyXAGINGGCGRRSKB-UHFFFAOYSA-N
XLogP3.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-cyclohexylquinoline-8-carboxamide
CID 37248042
2-[(5-chloroquinolin-8-yl)amino]-N-cyclopropylacetamide
CID 116784065
(2R)-N-(5-chloroquinolin-8-yl)piperidine-2-carboxamide
CID 104913187
3-chloro-N-[(5-chloroquinolin-8-yl)carbamoyl]propanamide
CID 116785166
N-(5-chloroquinolin-8-yl)-4-methylpiperidine-1-carboxamide
CID 115581912
1-butyl-3-(5-chloroquinolin-8-yl)urea
CID 47201926
benzyl N-(5-chloroquinolin-8-yl)carbamate
CID 130156860
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
2-[[(5-chloroquinolin-8-yl)amino]methyl]-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 176989225
1-(3-chloro-2-methoxyphenyl)-3-cyclohexylurea
CID 5148075
3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
CID 63680758
3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide
CID 66464804

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloroquinolin-8-yl)-3-cyclopentylurea?
The IUPAC name of 1-(5-chloroquinolin-8-yl)-3-cyclopentylurea (CID 47201915) is 1-(5-chloroquinolin-8-yl)-3-cyclopentylurea.
What is the SMILES notation for 1-(5-chloroquinolin-8-yl)-3-cyclopentylurea?
The canonical SMILES for 1-(5-chloroquinolin-8-yl)-3-cyclopentylurea is O=C(Nc1ccc(Cl)c2cccnc12)NC1CCCC1.
What is the InChIKey of 1-(5-chloroquinolin-8-yl)-3-cyclopentylurea?
The InChIKey is XAGINGGCGRRSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-12-7-8-13(14-11(12)6-3-9-17-14)19-15(20)18-10-4-1-2-5-10/h3,6-10H,1-2,4-5H2,(H2,18,19,20).
What are the key properties of 1-(5-chloroquinolin-8-yl)-3-cyclopentylurea?
1-(5-chloroquinolin-8-yl)-3-cyclopentylurea has a molecular weight of 289.77 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloroquinolin-8-yl)-3-cyclopentylurea is sourced from PubChem (CID 47201915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).