4-[3-(2-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one

C17H23N3O — CID 81244041

IUPAC4-[3-(2-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(N2CCCC(CCN)C2)c2ccccc21
InChIInChI=1S/C17H23N3O/c1-19-15-7-3-2-6-14(15)16(11-17(19)21)20-10-4-5-13(12-20)8-9-18/h2-3,6-7,11,13H,4-5,8-10,12,18H2,1H3
InChIKeyUAVBJVZSUBZPSW-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.10
Rot. Bonds3

About 4-[3-(2-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one

4-[3-(2-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one (PubChem CID 81244041) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[3-(2-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-[3-(2-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one
PubChem CID81244041
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-[3-(2-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(N2CCCC(CCN)C2)c2ccccc21
InChIInChI=1S/C17H23N3O/c1-19-15-7-3-2-6-14(15)16(11-17(19)21)20-10-4-5-13(12-20)8-9-18/h2-3,6-7,11,13H,4-5,8-10,12,18H2,1H3
InChIKeyUAVBJVZSUBZPSW-UHFFFAOYSA-N
XLogP2.10
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-piperidin-1-ylquinolin-2-one
CID 154146370
2-[1-(2-ethoxyphenyl)piperidin-3-yl]ethanamine
CID 117002698
1-[3-(2-aminoethyl)piperidin-1-yl]-N-methylnaphthalen-2-amine
CID 71142186
2-[1-(3-chlorophenyl)piperidin-3-yl]ethanamine
CID 83824657
4-[2-(1-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one
CID 81244792
1-methyl-4-[(1-methylpyrrolidin-3-yl)methylamino]quinolin-2-one
CID 81244583
2-[1-(4-chlorophenyl)piperidin-3-yl]ethanamine
CID 83824658
2-[1-(4-fluorophenyl)piperidin-3-yl]ethanamine
CID 83822888
2-[3-(2-aminoethyl)piperidin-1-yl]-4-(2-amino-2-oxoethyl)benzamide
CID 68854613
4-[(3S)-3-aminoazepane-1-carbonyl]-1-methylquinolin-2-one
CID 96574654
(2R)-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370801
methyl 4-[3-(2-aminoethyl)piperidin-1-yl]-2,3-difluorobenzoate
CID 79835282

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one?
The IUPAC name of 4-[3-(2-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one (CID 81244041) is 4-[3-(2-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one.
What is the SMILES notation for 4-[3-(2-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one?
The canonical SMILES for 4-[3-(2-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one is Cn1c(=O)cc(N2CCCC(CCN)C2)c2ccccc21.
What is the InChIKey of 4-[3-(2-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one?
The InChIKey is UAVBJVZSUBZPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-19-15-7-3-2-6-14(15)16(11-17(19)21)20-10-4-5-13(12-20)8-9-18/h2-3,6-7,11,13H,4-5,8-10,12,18H2,1H3.
What are the key properties of 4-[3-(2-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one?
4-[3-(2-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one has a molecular weight of 285.39 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-aminoethyl)piperidin-1-yl]-1-methylquinolin-2-one is sourced from PubChem (CID 81244041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).