8-methyl-2-pyridin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide

C23H26N4O — CID 46951603

IUPAC8-methyl-2-pyridin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide
SMILESCc1cccc2c(C(=O)NC(C)CN3CCCC3)cc(-c3ccccn3)nc12
InChIInChI=1S/C23H26N4O/c1-16-8-7-9-18-19(23(28)25-17(2)15-27-12-5-6-13-27)14-21(26-22(16)18)20-10-3-4-11-24-20/h3-4,7-11,14,17H,5-6,12-13,15H2,1-2H3,(H,25,28)
InChIKeyPVJNWOMEJKYDEU-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.82
Rot. Bonds5

About 8-methyl-2-pyridin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide

8-methyl-2-pyridin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide (PubChem CID 46951603) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 8-methyl-2-pyridin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name8-methyl-2-pyridin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide
PubChem CID46951603
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name8-methyl-2-pyridin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide
SMILESCc1cccc2c(C(=O)NC(C)CN3CCCC3)cc(-c3ccccn3)nc12
InChIInChI=1S/C23H26N4O/c1-16-8-7-9-18-19(23(28)25-17(2)15-27-12-5-6-13-27)14-21(26-22(16)18)20-10-3-4-11-24-20/h3-4,7-11,14,17H,5-6,12-13,15H2,1-2H3,(H,25,28)
InChIKeyPVJNWOMEJKYDEU-UHFFFAOYSA-N
XLogP3.82
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-piperidin-1-ylpropan-2-yl)benzo[f]quinoline-5-carboxamide
CID 78896749
2-hydroxy-3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217194
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2,8-dimethylquinoline-4-carboxamide
CID 51586879
3-hydroxy-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 82828949
2-(1-methylpyrazol-4-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide
CID 46977229
6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 2965508
4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 112702718
2-pyridin-2-yl-N-[(1R,2S)-1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl]quinoline-4-carboxamide
CID 2381674
N-[(2S)-3,3-dimethylbutan-2-yl]-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 899137
2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-5-sulfanylbenzamide
CID 107025186
2-(1,5-dimethylpyrazol-4-yl)-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide
CID 46977184
N-[(2S)-4-(azepan-1-yl)butan-2-yl]-2-(1-methylpyrazol-3-yl)quinoline-4-carboxamide
CID 92627694

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-pyridin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide?
The IUPAC name of 8-methyl-2-pyridin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide (CID 46951603) is 8-methyl-2-pyridin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 8-methyl-2-pyridin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 8-methyl-2-pyridin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide is Cc1cccc2c(C(=O)NC(C)CN3CCCC3)cc(-c3ccccn3)nc12.
What is the InChIKey of 8-methyl-2-pyridin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide?
The InChIKey is PVJNWOMEJKYDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16-8-7-9-18-19(23(28)25-17(2)15-27-12-5-6-13-27)14-21(26-22(16)18)20-10-3-4-11-24-20/h3-4,7-11,14,17H,5-6,12-13,15H2,1-2H3,(H,25,28).
What are the key properties of 8-methyl-2-pyridin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide?
8-methyl-2-pyridin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-pyridin-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 46951603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).