2-(methylamino)-N-piperidin-1-ylquinoline-4-carboxamide

C16H20N4O — CID 83016827

IUPAC2-(methylamino)-N-piperidin-1-ylquinoline-4-carboxamide
SMILESCNc1cc(C(=O)NN2CCCCC2)c2ccccc2n1
InChIInChI=1S/C16H20N4O/c1-17-15-11-13(12-7-3-4-8-14(12)18-15)16(21)19-20-9-5-2-6-10-20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,18)(H,19,21)
InChIKeyQILCYCNOFROLOQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.41
Rot. Bonds3

About 2-(methylamino)-N-piperidin-1-ylquinoline-4-carboxamide

2-(methylamino)-N-piperidin-1-ylquinoline-4-carboxamide (PubChem CID 83016827) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(methylamino)-N-piperidin-1-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-piperidin-1-ylquinoline-4-carboxamide
PubChem CID83016827
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(methylamino)-N-piperidin-1-ylquinoline-4-carboxamide
SMILESCNc1cc(C(=O)NN2CCCCC2)c2ccccc2n1
InChIInChI=1S/C16H20N4O/c1-17-15-11-13(12-7-3-4-8-14(12)18-15)16(21)19-20-9-5-2-6-10-20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,18)(H,19,21)
InChIKeyQILCYCNOFROLOQ-UHFFFAOYSA-N
XLogP2.41
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-piperidin-1-ylquinoline-4-carboxamide
CID 9271376
[2-(methylamino)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 62170916
2-(methylamino)-N-(1-methylcyclopentyl)quinoline-4-carboxamide
CID 64688497
2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 62165979
[2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone
CID 62968729
N-(1-cyclobutylethyl)-2-(methylamino)quinoline-4-carboxamide
CID 115769042
(3,4-dihydroxypyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone
CID 106673774
N-(2-cyclopropylpropan-2-yl)-2-(methylamino)quinoline-4-carboxamide
CID 103718280
(3,4-dimethylpyrrolidin-1-yl)-[2-(methylamino)quinolin-4-yl]methanone
CID 79179423
N-(1H-imidazol-2-yl)-2-(methylamino)quinoline-4-carboxamide
CID 63563757
[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)quinolin-4-yl]methanone
CID 62173431
2-(propan-2-ylamino)quinoline-4-carboxylic acid
CID 43154773

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-piperidin-1-ylquinoline-4-carboxamide?
The IUPAC name of 2-(methylamino)-N-piperidin-1-ylquinoline-4-carboxamide (CID 83016827) is 2-(methylamino)-N-piperidin-1-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-piperidin-1-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(methylamino)-N-piperidin-1-ylquinoline-4-carboxamide is CNc1cc(C(=O)NN2CCCCC2)c2ccccc2n1.
What is the InChIKey of 2-(methylamino)-N-piperidin-1-ylquinoline-4-carboxamide?
The InChIKey is QILCYCNOFROLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-17-15-11-13(12-7-3-4-8-14(12)18-15)16(21)19-20-9-5-2-6-10-20/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,17,18)(H,19,21).
What are the key properties of 2-(methylamino)-N-piperidin-1-ylquinoline-4-carboxamide?
2-(methylamino)-N-piperidin-1-ylquinoline-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-piperidin-1-ylquinoline-4-carboxamide is sourced from PubChem (CID 83016827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).