N-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide

C17H21N3O2 — CID 56601767

IUPACN-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide
SMILESCC1CCCCN1CNC(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C17H21N3O2/c1-12-6-4-5-9-20(12)11-18-17(22)15-10-16(21)13-7-2-3-8-14(13)19-15/h2-3,7-8,10,12H,4-6,9,11H2,1H3,(H,18,22)(H,19,21)
InChIKeyZWDVQZLRKIZPIQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.09
Rot. Bonds3

About N-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide

N-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide (PubChem CID 56601767) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide
PubChem CID56601767
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide
SMILESCC1CCCCN1CNC(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C17H21N3O2/c1-12-6-4-5-9-20(12)11-18-17(22)15-10-16(21)13-7-2-3-8-14(13)19-15/h2-3,7-8,10,12H,4-6,9,11H2,1H3,(H,18,22)(H,19,21)
InChIKeyZWDVQZLRKIZPIQ-UHFFFAOYSA-N
XLogP2.09
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-oxo-1H-quinoline-2-carboxamide
CID 47115379
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7504437
N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 51949127
1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 920121
2-(piperidine-1-carbonyl)-1H-quinolin-4-one
CID 47120448
4-chloro-N-[(2-methylpiperidin-1-yl)methyl]benzamide
CID 21230989
4-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1H-quinoline-2-carboxamide
CID 51091615
2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1H-quinolin-4-one
CID 95593582
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1H-quinolin-4-one
CID 56810081
1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
CID 3733485
2-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 95197135
2-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 95197136

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide?
The IUPAC name of N-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide (CID 56601767) is N-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide.
What is the SMILES notation for N-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide?
The canonical SMILES for N-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide is CC1CCCCN1CNC(=O)c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of N-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide?
The InChIKey is ZWDVQZLRKIZPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-6-4-5-9-20(12)11-18-17(22)15-10-16(21)13-7-2-3-8-14(13)19-15/h2-3,7-8,10,12H,4-6,9,11H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide?
N-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide is sourced from PubChem (CID 56601767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).