2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide

C21H25N5O — CID 46977229

IUPAC2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide
SMILESCC(CN1CCCC1)NC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12
InChIInChI=1S/C21H25N5O/c1-15(13-26-9-5-6-10-26)23-21(27)18-11-20(16-12-22-25(2)14-16)24-19-8-4-3-7-17(18)19/h3-4,7-8,11-12,14-15H,5-6,9-10,13H2,1-2H3,(H,23,27)
InChIKeySRSAAKRZNUVAAI-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.85
Rot. Bonds5

About 2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide

2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide (PubChem CID 46977229) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide
PubChem CID46977229
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide
SMILESCC(CN1CCCC1)NC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12
InChIInChI=1S/C21H25N5O/c1-15(13-26-9-5-6-10-26)23-21(27)18-11-20(16-12-22-25(2)14-16)24-19-8-4-3-7-17(18)19/h3-4,7-8,11-12,14-15H,5-6,9-10,13H2,1-2H3,(H,23,27)
InChIKeySRSAAKRZNUVAAI-UHFFFAOYSA-N
XLogP2.85
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
CID 19513034
3-methyl-6-(1-methylpyrazol-4-yl)-N-(1-piperidin-1-ylpropan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824797
N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518466
N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518443
2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 19513012
2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide
CID 19513031
N-[(2S)-4-(azepan-1-yl)butan-2-yl]-2-(1-methylpyrazol-3-yl)quinoline-4-carboxamide
CID 92627694
2-(1,5-dimethylpyrazol-4-yl)-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide
CID 46977184
2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
CID 7017781
6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 2965508
N-(1,5-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19513019
N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518467

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide (CID 46977229) is 2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide is CC(CN1CCCC1)NC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide?
The InChIKey is SRSAAKRZNUVAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15(13-26-9-5-6-10-26)23-21(27)18-11-20(16-12-22-25(2)14-16)24-19-8-4-3-7-17(18)19/h3-4,7-8,11-12,14-15H,5-6,9-10,13H2,1-2H3,(H,23,27).
What are the key properties of 2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide?
2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 46977229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).