[6,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone

C21H24N4O — CID 95046040

IUPAC[6,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
SMILESCc1cc(C)c2nc(-c3cnn(C)c3)cc(C(=O)N3CCC[C@H]3C)c2c1
InChIInChI=1S/C21H24N4O/c1-13-8-14(2)20-17(9-13)18(21(26)25-7-5-6-15(25)3)10-19(23-20)16-11-22-24(4)12-16/h8-12,15H,5-7H2,1-4H3/t15-/m1/s1
InChIKeyBCYGQTFRLNQZKW-OAHLLOKOSA-N
MW348.45 g/mol
LogP3.88
Rot. Bonds2

About [6,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone

[6,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone (PubChem CID 95046040) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is [6,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
PubChem CID95046040
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name[6,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
SMILESCc1cc(C)c2nc(-c3cnn(C)c3)cc(C(=O)N3CCC[C@H]3C)c2c1
InChIInChI=1S/C21H24N4O/c1-13-8-14(2)20-17(9-13)18(21(26)25-7-5-6-15(25)3)10-19(23-20)16-11-22-24(4)12-16/h8-12,15H,5-7H2,1-4H3/t15-/m1/s1
InChIKeyBCYGQTFRLNQZKW-OAHLLOKOSA-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

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Related Compounds

[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95046708
[5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 46996230
[5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 46994345
[7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 46995494
[2-(1-ethylpyrazol-4-yl)-5,7-dimethylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 95047130
(2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46988948
(2,4-dimethyl-1,4-diazepan-1-yl)-[6-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46999816
[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-fluoro-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 29255838
[(2S)-2-methylpiperidin-1-yl]-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 95046617
[6-fluoro-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 45171328

Frequently Asked Questions

What is the IUPAC name of [6,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone?
The IUPAC name of [6,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone (CID 95046040) is [6,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [6,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for [6,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone is Cc1cc(C)c2nc(-c3cnn(C)c3)cc(C(=O)N3CCC[C@H]3C)c2c1.
What is the InChIKey of [6,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone?
The InChIKey is BCYGQTFRLNQZKW-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N4O/c1-13-8-14(2)20-17(9-13)18(21(26)25-7-5-6-15(25)3)10-19(23-20)16-11-22-24(4)12-16/h8-12,15H,5-7H2,1-4H3/t15-/m1/s1.
What are the key properties of [6,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone?
[6,8-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 [6,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 95046040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).