2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-3-carboxamide

C18H20N4O — CID 46991183

IUPAC2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NC(C)Cn3cccn3)cc2c1
InChIInChI=1S/C18H20N4O/c1-12-5-6-17-15(9-12)10-16(14(3)21-17)18(23)20-13(2)11-22-8-4-7-19-22/h4-10,13H,11H2,1-3H3,(H,20,23)
InChIKeyQNEQIEUNROBXOV-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.87
Rot. Bonds4

About 2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-3-carboxamide

2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-3-carboxamide (PubChem CID 46991183) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-3-carboxamide
PubChem CID46991183
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NC(C)Cn3cccn3)cc2c1
InChIInChI=1S/C18H20N4O/c1-12-5-6-17-15(9-12)10-16(14(3)21-17)18(23)20-13(2)11-22-8-4-7-19-22/h4-10,13H,11H2,1-3H3,(H,20,23)
InChIKeyQNEQIEUNROBXOV-UHFFFAOYSA-N
XLogP2.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylquinoline-3-carboxamide
CID 94448585
1-ethyl-3-methyl-6-(4-methylphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 44821453
2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
CID 60940603
N-butan-2-yl-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110848504
2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459775
4-fluoro-2-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103829742
2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 107074869
2-(ethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 62178733
4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-sulfanylbenzamide
CID 107024915
5,7-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110226468
1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94116600
5-chloro-2-(methylamino)-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 114923229

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-3-carboxamide?
The IUPAC name of 2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-3-carboxamide (CID 46991183) is 2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-3-carboxamide is Cc1ccc2nc(C)c(C(=O)NC(C)Cn3cccn3)cc2c1.
What is the InChIKey of 2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-3-carboxamide?
The InChIKey is QNEQIEUNROBXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-5-6-17-15(9-12)10-16(14(3)21-17)18(23)20-13(2)11-22-8-4-7-19-22/h4-10,13H,11H2,1-3H3,(H,20,23).
What are the key properties of 2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-3-carboxamide?
2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-3-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-3-carboxamide is sourced from PubChem (CID 46991183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).