2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]quinoline-4-carboxamide

C17H19N5O — CID 146045781

IUPAC2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]quinoline-4-carboxamide
SMILESCN(CCc1cnn(C)c1)c1cc(C(N)=O)c2ccccc2n1
InChIInChI=1S/C17H19N5O/c1-21(8-7-12-10-19-22(2)11-12)16-9-14(17(18)23)13-5-3-4-6-15(13)20-16/h3-6,9-11H,7-8H2,1-2H3,(H2,18,23)
InChIKeyMLTCKJDRCOJSHG-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.75
Rot. Bonds5

About 2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]quinoline-4-carboxamide

2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]quinoline-4-carboxamide (PubChem CID 146045781) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]quinoline-4-carboxamide
PubChem CID146045781
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]quinoline-4-carboxamide
SMILESCN(CCc1cnn(C)c1)c1cc(C(N)=O)c2ccccc2n1
InChIInChI=1S/C17H19N5O/c1-21(8-7-12-10-19-22(2)11-12)16-9-14(17(18)23)13-5-3-4-6-15(13)20-16/h3-6,9-11H,7-8H2,1-2H3,(H2,18,23)
InChIKeyMLTCKJDRCOJSHG-UHFFFAOYSA-N
XLogP1.75
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]benzenecarbothioamide
CID 103002637
2-[2-methoxyethyl(methyl)amino]quinoline-4-carbothioamide
CID 63885735
2-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 51083364
2-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]quinoline-4-carboxamide
CID 154565677
2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]quinoline-4-carboxylic acid
CID 43375386
N-cyclopropyl-2-[methyl-[2-(1,2,4-triazol-4-yl)ethyl]amino]quinoline-4-carboxamide
CID 71853945
N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72837727
2-[methyl-[(2-methylcyclopropyl)methyl]amino]quinoline-4-carbothioamide
CID 63886121
N-[(1-methylpyrazol-4-yl)methyl]-2-(4-propylphenyl)quinoline-4-carboxamide
CID 1257098
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropan-1-amine
CID 77093539
2-[(5-benzyl-1-methylpyrazole-4-carbonyl)amino]quinoline-4-carboxamide
CID 167973640

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]quinoline-4-carboxamide?
The IUPAC name of 2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]quinoline-4-carboxamide (CID 146045781) is 2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]quinoline-4-carboxamide.
What is the SMILES notation for 2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]quinoline-4-carboxamide?
The canonical SMILES for 2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]quinoline-4-carboxamide is CN(CCc1cnn(C)c1)c1cc(C(N)=O)c2ccccc2n1.
What is the InChIKey of 2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]quinoline-4-carboxamide?
The InChIKey is MLTCKJDRCOJSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-21(8-7-12-10-19-22(2)11-12)16-9-14(17(18)23)13-5-3-4-6-15(13)20-16/h3-6,9-11H,7-8H2,1-2H3,(H2,18,23).
What are the key properties of 2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]quinoline-4-carboxamide?
2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]quinoline-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]quinoline-4-carboxamide is sourced from PubChem (CID 146045781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).