2-[(2-methylpiperidin-3-yl)amino]quinoline-3-carbonitrile

C16H18N4 — CID 114695703

IUPAC2-[(2-methylpiperidin-3-yl)amino]quinoline-3-carbonitrile
SMILESCC1NCCCC1Nc1nc2ccccc2cc1C#N
InChIInChI=1S/C16H18N4/c1-11-14(7-4-8-18-11)19-16-13(10-17)9-12-5-2-3-6-15(12)20-16/h2-3,5-6,9,11,14,18H,4,7-8H2,1H3,(H,19,20)
InChIKeyFTKKBKRCGDEHCS-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.66
Rot. Bonds2

About 2-[(2-methylpiperidin-3-yl)amino]quinoline-3-carbonitrile

2-[(2-methylpiperidin-3-yl)amino]quinoline-3-carbonitrile (PubChem CID 114695703) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-[(2-methylpiperidin-3-yl)amino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[(2-methylpiperidin-3-yl)amino]quinoline-3-carbonitrile
PubChem CID114695703
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-[(2-methylpiperidin-3-yl)amino]quinoline-3-carbonitrile
SMILESCC1NCCCC1Nc1nc2ccccc2cc1C#N
InChIInChI=1S/C16H18N4/c1-11-14(7-4-8-18-11)19-16-13(10-17)9-12-5-2-3-6-15(12)20-16/h2-3,5-6,9,11,14,18H,4,7-8H2,1H3,(H,19,20)
InChIKeyFTKKBKRCGDEHCS-UHFFFAOYSA-N
XLogP2.66
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-[(2-methylpiperidin-3-yl)amino]pyridine-3-carbonitrile
CID 114695618
4-[(2-methylpiperidin-3-yl)amino]cinnoline-3-carbonitrile
CID 114695438
2-[(2-methylcyclopropyl)methylamino]quinoline-3-carbonitrile
CID 113463859
2-[(2-hydroxycyclohexyl)methylamino]quinoline-3-carbonitrile
CID 64911454
2-(hydroxyamino)quinoline-3-carbonitrile
CID 130500627
2-[(3-ethoxycyclobutyl)amino]quinoline-3-carbonitrile
CID 102609273
2-[[(2R)-6-oxopiperidin-2-yl]methylamino]quinoline-3-carbonitrile
CID 167851131
2-[[2-[[(3S)-piperidin-3-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]quinoline-3-carbonitrile
CID 175858862
2-[(3-methylquinolin-2-yl)amino]cyclohexan-1-ol
CID 63229228
2-[(2,3-dimethylcyclohexyl)amino]quinoline-4-carbonitrile
CID 63885038
2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile
CID 62090812
2-N-(3-methylquinolin-2-yl)cyclohexane-1,2-diamine
CID 63229478

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpiperidin-3-yl)amino]quinoline-3-carbonitrile?
The IUPAC name of 2-[(2-methylpiperidin-3-yl)amino]quinoline-3-carbonitrile (CID 114695703) is 2-[(2-methylpiperidin-3-yl)amino]quinoline-3-carbonitrile.
What is the SMILES notation for 2-[(2-methylpiperidin-3-yl)amino]quinoline-3-carbonitrile?
The canonical SMILES for 2-[(2-methylpiperidin-3-yl)amino]quinoline-3-carbonitrile is CC1NCCCC1Nc1nc2ccccc2cc1C#N.
What is the InChIKey of 2-[(2-methylpiperidin-3-yl)amino]quinoline-3-carbonitrile?
The InChIKey is FTKKBKRCGDEHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-11-14(7-4-8-18-11)19-16-13(10-17)9-12-5-2-3-6-15(12)20-16/h2-3,5-6,9,11,14,18H,4,7-8H2,1H3,(H,19,20).
What are the key properties of 2-[(2-methylpiperidin-3-yl)amino]quinoline-3-carbonitrile?
2-[(2-methylpiperidin-3-yl)amino]quinoline-3-carbonitrile has a molecular weight of 266.35 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpiperidin-3-yl)amino]quinoline-3-carbonitrile is sourced from PubChem (CID 114695703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).