2-[[(2R)-6-oxopiperidin-2-yl]methylamino]quinoline-3-carbonitrile

C16H16N4O — CID 167851131

IUPAC2-[[(2R)-6-oxopiperidin-2-yl]methylamino]quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1NC[C@H]1CCCC(=O)N1
InChIInChI=1S/C16H16N4O/c17-9-12-8-11-4-1-2-6-14(11)20-16(12)18-10-13-5-3-7-15(21)19-13/h1-2,4,6,8,13H,3,5,7,10H2,(H,18,20)(H,19,21)/t13-/m1/s1
InChIKeyPHNPTRFYMLTJJT-CYBMUJFWSA-N
MW280.33 g/mol
LogP2.19
Rot. Bonds3

About 2-[[(2R)-6-oxopiperidin-2-yl]methylamino]quinoline-3-carbonitrile

2-[[(2R)-6-oxopiperidin-2-yl]methylamino]quinoline-3-carbonitrile (PubChem CID 167851131) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[[(2R)-6-oxopiperidin-2-yl]methylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[[(2R)-6-oxopiperidin-2-yl]methylamino]quinoline-3-carbonitrile
PubChem CID167851131
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-[[(2R)-6-oxopiperidin-2-yl]methylamino]quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1NC[C@H]1CCCC(=O)N1
InChIInChI=1S/C16H16N4O/c17-9-12-8-11-4-1-2-6-14(11)20-16(12)18-10-13-5-3-7-15(21)19-13/h1-2,4,6,8,13H,3,5,7,10H2,(H,18,20)(H,19,21)/t13-/m1/s1
InChIKeyPHNPTRFYMLTJJT-CYBMUJFWSA-N
XLogP2.19
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(2R)-6-oxopiperidin-2-yl]methylamino]quinoline-3-carbonitrile 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-[[(2R)-6-oxopiperidin-2-yl]methylamino]quinoline-3-carbonitrile?
The IUPAC name of 2-[[(2R)-6-oxopiperidin-2-yl]methylamino]quinoline-3-carbonitrile (CID 167851131) is 2-[[(2R)-6-oxopiperidin-2-yl]methylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 2-[[(2R)-6-oxopiperidin-2-yl]methylamino]quinoline-3-carbonitrile?
The canonical SMILES for 2-[[(2R)-6-oxopiperidin-2-yl]methylamino]quinoline-3-carbonitrile is N#Cc1cc2ccccc2nc1NC[C@H]1CCCC(=O)N1.
What is the InChIKey of 2-[[(2R)-6-oxopiperidin-2-yl]methylamino]quinoline-3-carbonitrile?
The InChIKey is PHNPTRFYMLTJJT-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16N4O/c17-9-12-8-11-4-1-2-6-14(11)20-16(12)18-10-13-5-3-7-15(21)19-13/h1-2,4,6,8,13H,3,5,7,10H2,(H,18,20)(H,19,21)/t13-/m1/s1.
What are the key properties of 2-[[(2R)-6-oxopiperidin-2-yl]methylamino]quinoline-3-carbonitrile?
2-[[(2R)-6-oxopiperidin-2-yl]methylamino]quinoline-3-carbonitrile has a molecular weight of 280.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-6-oxopiperidin-2-yl]methylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 167851131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).