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

C21H24N4O — CID 95046708

IUPAC[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
SMILESCc1ccc2c(C(=O)N3CCC[C@H]3C)cc(-c3cnn(C)c3)nc2c1C
InChIInChI=1S/C21H24N4O/c1-13-7-8-17-18(21(26)25-9-5-6-14(25)2)10-19(23-20(17)15(13)3)16-11-22-24(4)12-16/h7-8,10-12,14H,5-6,9H2,1-4H3/t14-/m1/s1
InChIKeyYEDIUSBXOHEOKD-CQSZACIVSA-N
MW348.45 g/mol
LogP3.88
Rot. Bonds2

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

[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone (PubChem CID 95046708) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
PubChem CID95046708
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
SMILESCc1ccc2c(C(=O)N3CCC[C@H]3C)cc(-c3cnn(C)c3)nc2c1C
InChIInChI=1S/C21H24N4O/c1-13-7-8-17-18(21(26)25-9-5-6-14(25)2)10-19(23-20(17)15(13)3)16-11-22-24(4)12-16/h7-8,10-12,14H,5-6,9H2,1-4H3/t14-/m1/s1
InChIKeyYEDIUSBXOHEOKD-CQSZACIVSA-N
XLogP3.88
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

[6,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95046040
[2-(2-cyclopropylpyrimidin-5-yl)-7,8-dimethylquinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95047271
[7,8-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 46992353
[7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 46995494
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 46985716
[5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 46996230
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3R)-3-propylpyrrolidin-1-yl]methanone
CID 95047470
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(3S)-3-ethyl-4-methylpiperazin-1-yl]methanone
CID 95046294
[5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 46994345
N,7,8-trimethyl-2-(1-methylpyrazol-4-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]quinoline-4-carboxamide
CID 95047395
[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

Frequently Asked Questions

What is the IUPAC name of [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone?
The IUPAC name of [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone (CID 95046708) is [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone is Cc1ccc2c(C(=O)N3CCC[C@H]3C)cc(-c3cnn(C)c3)nc2c1C.
What is the InChIKey of [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone?
The InChIKey is YEDIUSBXOHEOKD-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24N4O/c1-13-7-8-17-18(21(26)25-9-5-6-14(25)2)10-19(23-20(17)15(13)3)16-11-22-24(4)12-16/h7-8,10-12,14H,5-6,9H2,1-4H3/t14-/m1/s1.
What are the key properties of [7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone?
[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone has a molecular weight of 348.45 g/mol, XLogP of 3.88, 2 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]-[(2R)-2-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 95046708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).