[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3R)-3-propylpyrrolidin-1-yl]methanone

C23H28N4O — CID 95047470

IUPAC[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3R)-3-propylpyrrolidin-1-yl]methanone
SMILESCCC[C@@H]1CCN(C(=O)c2cc(-c3cnn(C)c3)nc3c(C)c(C)ccc23)C1
InChIInChI=1S/C23H28N4O/c1-5-6-17-9-10-27(13-17)23(28)20-11-21(18-12-24-26(4)14-18)25-22-16(3)15(2)7-8-19(20)22/h7-8,11-12,14,17H,5-6,9-10,13H2,1-4H3/t17-/m1/s1
InChIKeyGGPTWGWAGVHYJI-QGZVFWFLSA-N
MW376.50 g/mol
LogP4.51
Rot. Bonds4

About [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3R)-3-propylpyrrolidin-1-yl]methanone

[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3R)-3-propylpyrrolidin-1-yl]methanone (PubChem CID 95047470) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3R)-3-propylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3R)-3-propylpyrrolidin-1-yl]methanone
PubChem CID95047470
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3R)-3-propylpyrrolidin-1-yl]methanone
SMILESCCC[C@@H]1CCN(C(=O)c2cc(-c3cnn(C)c3)nc3c(C)c(C)ccc23)C1
InChIInChI=1S/C23H28N4O/c1-5-6-17-9-10-27(13-17)23(28)20-11-21(18-12-24-26(4)14-18)25-22-16(3)15(2)7-8-19(20)22/h7-8,11-12,14,17H,5-6,9-10,13H2,1-4H3/t17-/m1/s1
InChIKeyGGPTWGWAGVHYJI-QGZVFWFLSA-N
XLogP4.51
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3R)-3-propylpyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3S)-3-ethyl-4-methylpiperazin-1-yl]methanone
CID 95046294
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 46985716
[2-(1-ethylpyrazol-4-yl)-7,8-dimethylquinolin-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 95046756
[2-(1-ethylpyrazol-4-yl)-7,8-dimethylquinolin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95046755
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95046708
N,7,8-trimethyl-2-(1-methylpyrazol-4-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]quinoline-4-carboxamide
CID 95047395
N-(5-cyclopropyl-1-methylpyrazol-4-yl)-7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 166392385
[2-(4-ethylphenyl)-7,8-dimethylquinolin-4-yl]-morpholin-4-ylmethanone
CID 3490109
N,8-dimethyl-2-(1-methylpyrazol-4-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]quinoline-4-carboxamide
CID 95045887
tert-butyl 7-[1-[[3-[1-[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]piperidin-4-yl]-1,2-oxazol-5-yl]methyl]triazol-4-yl]-2,3-dihydroindole-1-carboxylate
CID 166352100
[3,3-difluoro-4-[[4-[5-[(2-methoxypyrimidin-4-yl)-methylamino]-2-methylphenyl]triazol-1-yl]methyl]piperidin-1-yl]-[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone
CID 166353858
[2-[2-(2-methoxyethyl)pyrimidin-5-yl]-7,8-dimethylquinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 46990469

Frequently Asked Questions

What is the IUPAC name of [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3R)-3-propylpyrrolidin-1-yl]methanone?
The IUPAC name of [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3R)-3-propylpyrrolidin-1-yl]methanone (CID 95047470) is [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3R)-3-propylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3R)-3-propylpyrrolidin-1-yl]methanone?
The canonical SMILES for [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3R)-3-propylpyrrolidin-1-yl]methanone is CCC[C@@H]1CCN(C(=O)c2cc(-c3cnn(C)c3)nc3c(C)c(C)ccc23)C1.
What is the InChIKey of [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3R)-3-propylpyrrolidin-1-yl]methanone?
The InChIKey is GGPTWGWAGVHYJI-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28N4O/c1-5-6-17-9-10-27(13-17)23(28)20-11-21(18-12-24-26(4)14-18)25-22-16(3)15(2)7-8-19(20)22/h7-8,11-12,14,17H,5-6,9-10,13H2,1-4H3/t17-/m1/s1.
What are the key properties of [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3R)-3-propylpyrrolidin-1-yl]methanone?
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3R)-3-propylpyrrolidin-1-yl]methanone has a molecular weight of 376.50 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3R)-3-propylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 95047470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).