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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).