[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone

C24H26N2O — CID 1221554

IUPAC[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C)c3ccccc3n2)cc1C
InChIInChI=1S/C24H26N2O/c1-16-11-12-19(14-17(16)2)23-15-21(20-9-4-5-10-22(20)25-23)24(27)26-13-7-6-8-18(26)3/h4-5,9-12,14-15,18H,6-8,13H2,1-3H3/t18-/m1/s1
InChIKeyVWBQBHAUFRFKSZ-GOSISDBHSA-N
MW358.49 g/mol
LogP5.53
Rot. Bonds2

About [2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone

[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone (PubChem CID 1221554) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is [2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
PubChem CID1221554
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C)c3ccccc3n2)cc1C
InChIInChI=1S/C24H26N2O/c1-16-11-12-19(14-17(16)2)23-15-21(20-9-4-5-10-22(20)25-23)24(27)26-13-7-6-8-18(26)3/h4-5,9-12,14-15,18H,6-8,13H2,1-3H3/t18-/m1/s1
InChIKeyVWBQBHAUFRFKSZ-GOSISDBHSA-N
XLogP5.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1022755
[2-(4-bromophenyl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 4198467
[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 1220276
(2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46988948
(2,6-dimethylpiperidin-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 4224556
[7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 46995494
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 7395353
2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749415
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 51854334
[(2S)-2-methylpiperidin-1-yl]-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 95046617
[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[2-(2-methylphenyl)quinolin-4-yl]methanone
CID 1220326
[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]-2,5-dimethylpiperazin-1-yl]-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 4605822

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of [2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone (CID 1221554) is [2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for [2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C)c3ccccc3n2)cc1C.
What is the InChIKey of [2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The InChIKey is VWBQBHAUFRFKSZ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H26N2O/c1-16-11-12-19(14-17(16)2)23-15-21(20-9-4-5-10-22(20)25-23)24(27)26-13-7-6-8-18(26)3/h4-5,9-12,14-15,18H,6-8,13H2,1-3H3/t18-/m1/s1.
What are the key properties of [2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone has a molecular weight of 358.49 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 1221554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).