[2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone

C24H26N2O — CID 3532026

IUPAC[2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCCc1ccc(-c2cc(C(=O)N3CCCC(C)C3)c3ccccc3n2)cc1
InChIInChI=1S/C24H26N2O/c1-3-18-10-12-19(13-11-18)23-15-21(20-8-4-5-9-22(20)25-23)24(27)26-14-6-7-17(2)16-26/h4-5,8-13,15,17H,3,6-7,14,16H2,1-2H3
InChIKeyJNWPCXAKHDMLIE-UHFFFAOYSA-N
MW358.49 g/mol
LogP5.34
Rot. Bonds3

About [2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone

[2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 3532026) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is [2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID3532026
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name[2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCCc1ccc(-c2cc(C(=O)N3CCCC(C)C3)c3ccccc3n2)cc1
InChIInChI=1S/C24H26N2O/c1-3-18-10-12-19(13-11-18)23-15-21(20-8-4-5-9-22(20)25-23)24(27)26-14-6-7-17(2)16-26/h4-5,8-13,15,17H,3,6-7,14,16H2,1-2H3
InChIKeyJNWPCXAKHDMLIE-UHFFFAOYSA-N
XLogP5.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-bromophenyl)quinolin-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 40543105
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 23936357
[2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 2965693
(6-bromo-2-phenylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 997940
1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 133108166
ethyl (3R)-1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylate
CID 40547748
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 42931045
[3-(1-aminoethyl)piperidin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 119594358
ethyl (3R)-1-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate
CID 7745228
[2-(4-methoxyphenyl)quinolin-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396458
[2-(4-bromophenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 3338926
[2-(4-ethylphenyl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3554779

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone (CID 3532026) is [2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone is CCc1ccc(-c2cc(C(=O)N3CCCC(C)C3)c3ccccc3n2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is JNWPCXAKHDMLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-3-18-10-12-19(13-11-18)23-15-21(20-8-4-5-9-22(20)25-23)24(27)26-14-6-7-17(2)16-26/h4-5,8-13,15,17H,3,6-7,14,16H2,1-2H3.
What are the key properties of [2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone?
[2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 358.49 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 3532026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).