(2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone

C21H24N4O — CID 46988948

IUPAC(2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
SMILESCC1CCCN1C(=O)c1cc(-c2cnn(C(C)C)c2)nc2ccccc12
InChIInChI=1S/C21H24N4O/c1-14(2)25-13-16(12-22-25)20-11-18(17-8-4-5-9-19(17)23-20)21(26)24-10-6-7-15(24)3/h4-5,8-9,11-15H,6-7,10H2,1-3H3
InChIKeyVTRSBXDRLXSNQB-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.30
Rot. Bonds3

About (2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone

(2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone (PubChem CID 46988948) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is (2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
PubChem CID46988948
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name(2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
SMILESCC1CCCN1C(=O)c1cc(-c2cnn(C(C)C)c2)nc2ccccc12
InChIInChI=1S/C21H24N4O/c1-14(2)25-13-16(12-22-25)20-11-18(17-8-4-5-9-19(17)23-20)21(26)24-10-6-7-15(24)3/h4-5,8-9,11-15H,6-7,10H2,1-3H3
InChIKeyVTRSBXDRLXSNQB-UHFFFAOYSA-N
XLogP4.30
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dimethyl-1,4-diazepan-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46991420
[6-fluoro-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 45171328
[(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-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46993429
[2-(4-bromophenyl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 4198467
[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1221554
[7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 46995494
[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1022755
[7-fluoro-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 29255838
(2,6-dimethylpiperidin-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 4224556
[7-methoxy-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 45209543
[2-(2-ethylpyrimidin-5-yl)-7-methylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 95046285

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone?
The IUPAC name of (2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone (CID 46988948) is (2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone.
What is the SMILES notation for (2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone?
The canonical SMILES for (2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone is CC1CCCN1C(=O)c1cc(-c2cnn(C(C)C)c2)nc2ccccc12.
What is the InChIKey of (2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone?
The InChIKey is VTRSBXDRLXSNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14(2)25-13-16(12-22-25)20-11-18(17-8-4-5-9-19(17)23-20)21(26)24-10-6-7-15(24)3/h4-5,8-9,11-15H,6-7,10H2,1-3H3.
What are the key properties of (2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone?
(2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone has a molecular weight of 348.45 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone is sourced from PubChem (CID 46988948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).