[5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone

C21H24N4O — CID 46996230

IUPAC[5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCc1cc(C)c2c(C(=O)N3CCCC3C)cc(-c3cnn(C)c3)nc2c1
InChIInChI=1S/C21H24N4O/c1-13-8-14(2)20-17(21(26)25-7-5-6-15(25)3)10-18(23-19(20)9-13)16-11-22-24(4)12-16/h8-12,15H,5-7H2,1-4H3
InChIKeyRNERIVUWMNRUMG-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.88
Rot. Bonds2

About [5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone

[5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 46996230) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is [5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
PubChem CID46996230
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name[5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCc1cc(C)c2c(C(=O)N3CCCC3C)cc(-c3cnn(C)c3)nc2c1
InChIInChI=1S/C21H24N4O/c1-13-8-14(2)20-17(21(26)25-7-5-6-15(25)3)10-18(23-19(20)9-13)16-11-22-24(4)12-16/h8-12,15H,5-7H2,1-4H3
InChIKeyRNERIVUWMNRUMG-UHFFFAOYSA-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

[5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 46994345
[2-(1-ethylpyrazol-4-yl)-5,7-dimethylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 95047130
[6,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95046040
[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]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95046708
N,N-diethyl-5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 46997967
[(2S)-2-methylpiperidin-1-yl]-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 95046617
(2,4-dimethyl-1,4-diazepan-1-yl)-[6-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46999816
(2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46988948
[7-fluoro-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 29255838
1-[5,7-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-4-carbonitrile
CID 46986531
[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 [5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone (CID 46996230) is [5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone is Cc1cc(C)c2c(C(=O)N3CCCC3C)cc(-c3cnn(C)c3)nc2c1.
What is the InChIKey of [5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is RNERIVUWMNRUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-13-8-14(2)20-17(21(26)25-7-5-6-15(25)3)10-18(23-19(20)9-13)16-11-22-24(4)12-16/h8-12,15H,5-7H2,1-4H3.
What are the key properties of [5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone?
[5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(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 [5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 46996230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).