[7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone

C21H24N4O — CID 46995494

IUPAC[7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCc1ccc2c(C(=O)N3CCCCC3C)cc(-c3cnn(C)c3)nc2c1
InChIInChI=1S/C21H24N4O/c1-14-7-8-17-18(21(26)25-9-5-4-6-15(25)2)11-19(23-20(17)10-14)16-12-22-24(3)13-16/h7-8,10-13,15H,4-6,9H2,1-3H3
InChIKeyPDSZHNTZDGYPNC-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.96
Rot. Bonds2

About [7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone

[7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 46995494) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is [7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
PubChem CID46995494
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name[7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCc1ccc2c(C(=O)N3CCCCC3C)cc(-c3cnn(C)c3)nc2c1
InChIInChI=1S/C21H24N4O/c1-14-7-8-17-18(21(26)25-9-5-4-6-15(25)2)11-19(23-20(17)10-14)16-12-22-24(3)13-16/h7-8,10-13,15H,4-6,9H2,1-3H3
InChIKeyPDSZHNTZDGYPNC-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-methylpiperidin-1-yl]-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 95046617
[5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 46994345
[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
[2-(2-ethylpyrimidin-5-yl)-7-methylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 95046285
[6,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95046040
[7-fluoro-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 29255838
[7-methoxy-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 45209543
(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-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1221554
[2-(4-bromophenyl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 4198467

Frequently Asked Questions

What is the IUPAC name of [7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone (CID 46995494) is [7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone is Cc1ccc2c(C(=O)N3CCCCC3C)cc(-c3cnn(C)c3)nc2c1.
What is the InChIKey of [7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is PDSZHNTZDGYPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14-7-8-17-18(21(26)25-9-5-4-6-15(25)2)11-19(23-20(17)10-14)16-12-22-24(3)13-16/h7-8,10-13,15H,4-6,9H2,1-3H3.
What are the key properties of [7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone?
[7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 348.45 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 46995494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).