3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one

C16H20N2O — CID 863818

IUPAC3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CNC3CCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C16H20N2O/c1-11-6-7-12-9-13(16(19)18-15(12)8-11)10-17-14-4-2-3-5-14/h6-9,14,17H,2-5,10H2,1H3,(H,18,19)
InChIKeyQHGFPLNSPJETHK-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.87
Rot. Bonds3

About 3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one

3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one (PubChem CID 863818) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one
PubChem CID863818
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one
SMILESCc1ccc2cc(CNC3CCCC3)c(=O)[nH]c2c1
InChIInChI=1S/C16H20N2O/c1-11-6-7-12-9-13(16(19)18-15(12)8-11)10-17-14-4-2-3-5-14/h6-9,14,17H,2-5,10H2,1H3,(H,18,19)
InChIKeyQHGFPLNSPJETHK-UHFFFAOYSA-N
XLogP2.87
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(cyclopentylamino)methyl]-6-methyl-1H-quinolin-2-one
CID 863819
1-cyclohexyl-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110324549
7-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 664663
7-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one
CID 863831
1-cyclopentyl-3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110662673
3-cyclohexyl-1-(2-hydroxyethyl)-1-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1138137
3-[[2-(dimethylamino)ethylamino]methyl]-7-methyl-1H-quinolin-2-one
CID 3171688
2-[cyclohexylcarbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium
CID 7141127
4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324590
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide
CID 110324580
7-methoxy-3-[[[(1S,2S)-2-methylcyclohexyl]amino]methyl]-1H-quinolin-2-one
CID 864655
N-tert-butyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]cyclohexanecarboxamide
CID 1399223

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one (CID 863818) is 3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one is Cc1ccc2cc(CNC3CCCC3)c(=O)[nH]c2c1.
What is the InChIKey of 3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one?
The InChIKey is QHGFPLNSPJETHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-6-7-12-9-13(16(19)18-15(12)8-11)10-17-14-4-2-3-5-14/h6-9,14,17H,2-5,10H2,1H3,(H,18,19).
What are the key properties of 3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one?
3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one has a molecular weight of 256.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one is sourced from PubChem (CID 863818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).