2-[[(2S)-2-(aminomethyl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one

C17H23N3O — CID 97132129

IUPAC2-[[(2S)-2-(aminomethyl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(CN3CCCC[C@H]3CN)cc(=O)c2c1
InChIInChI=1S/C17H23N3O/c1-12-5-6-16-15(8-12)17(21)9-13(19-16)11-20-7-3-2-4-14(20)10-18/h5-6,8-9,14H,2-4,7,10-11,18H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyPSMAECMDLMCMFX-AWEZNQCLSA-N
MW285.39 g/mol
LogP2.15
Rot. Bonds3

About 2-[[(2S)-2-(aminomethyl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one

2-[[(2S)-2-(aminomethyl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one (PubChem CID 97132129) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[[(2S)-2-(aminomethyl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[(2S)-2-(aminomethyl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one
PubChem CID97132129
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[[(2S)-2-(aminomethyl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one
SMILESCc1ccc2[nH]c(CN3CCCC[C@H]3CN)cc(=O)c2c1
InChIInChI=1S/C17H23N3O/c1-12-5-6-16-15(8-12)17(21)9-13(19-16)11-20-7-3-2-4-14(20)10-18/h5-6,8-9,14H,2-4,7,10-11,18H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyPSMAECMDLMCMFX-AWEZNQCLSA-N
XLogP2.15
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-[[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-1H-quinolin-4-one
CID 97137726
6-fluoro-2-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 97110018
6-methyl-2-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-1H-quinolin-4-one
CID 72848669
[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916076
2-[[(2S)-2-benzyl-3-oxopiperazin-1-yl]methyl]-6-methyl-1H-quinolin-4-one
CID 97115671
6-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-quinolin-4-one
CID 72879344
(3R)-N-ethyl-1-[(6-methyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 124906654
2-[[(3R,4S)-3,4-dihydroxy-4-methylpiperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one
CID 133124192
2-[[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]methyl]-4-oxo-1H-quinoline-6-carboxamide
CID 97133797
6-methyl-2-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 72894201
[1-[(2,4,6-trimethylphenyl)methyl]azepan-2-yl]methanamine
CID 116640521
6-methyl-2-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1H-quinolin-4-one
CID 72872414

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(aminomethyl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one?
The IUPAC name of 2-[[(2S)-2-(aminomethyl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one (CID 97132129) is 2-[[(2S)-2-(aminomethyl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-[[(2S)-2-(aminomethyl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-[[(2S)-2-(aminomethyl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one is Cc1ccc2[nH]c(CN3CCCC[C@H]3CN)cc(=O)c2c1.
What is the InChIKey of 2-[[(2S)-2-(aminomethyl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one?
The InChIKey is PSMAECMDLMCMFX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-5-6-16-15(8-12)17(21)9-13(19-16)11-20-7-3-2-4-14(20)10-18/h5-6,8-9,14H,2-4,7,10-11,18H2,1H3,(H,19,21)/t14-/m0/s1.
What are the key properties of 2-[[(2S)-2-(aminomethyl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one?
2-[[(2S)-2-(aminomethyl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one has a molecular weight of 285.39 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(aminomethyl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one is sourced from PubChem (CID 97132129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).