[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone

C25H28N2O — CID 1220276

IUPAC[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c3ccccc3n2)cc1C
InChIInChI=1S/C25H28N2O/c1-16-11-17(2)15-27(14-16)25(28)22-13-24(20-10-9-18(3)19(4)12-20)26-23-8-6-5-7-21(22)23/h5-10,12-13,16-17H,11,14-15H2,1-4H3/t16-,17-/m0/s1
InChIKeyJBFQTTDSJJOSHM-IRXDYDNUSA-N
MW372.51 g/mol
LogP5.64
Rot. Bonds2

About [2-(3,4-dimethylphenyl)quinolin-4-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone

[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone (PubChem CID 1220276) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is [2-(3,4-dimethylphenyl)quinolin-4-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
PubChem CID1220276
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c3ccccc3n2)cc1C
InChIInChI=1S/C25H28N2O/c1-16-11-17(2)15-27(14-16)25(28)22-13-24(20-10-9-18(3)19(4)12-20)26-23-8-6-5-7-21(22)23/h5-10,12-13,16-17H,11,14-15H2,1-4H3/t16-,17-/m0/s1
InChIKeyJBFQTTDSJJOSHM-IRXDYDNUSA-N
XLogP5.64
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [2-(3,4-dimethylphenyl)quinolin-4-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone with MolForge

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Related Compounds

[2-(4-bromophenyl)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 3338926
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951
[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1221554
[2-(3,4-dimethylanilino)quinolin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 5074067
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[2-(3-ethoxyphenyl)quinolin-4-yl]methanone
CID 1223536
(3,5-dimethylpiperidin-1-yl)-[2-(3-ethoxyphenyl)quinolin-4-yl]methanone
CID 2887233
(2,6-dimethylmorpholin-4-yl)-(2-phenylquinolin-4-yl)methanone
CID 2873550
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 7693946
[2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 3532026
[2-(3-bromophenyl)quinolin-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 40543105
[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 3533983

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylphenyl)quinolin-4-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The IUPAC name of [2-(3,4-dimethylphenyl)quinolin-4-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone (CID 1220276) is [2-(3,4-dimethylphenyl)quinolin-4-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for [2-(3,4-dimethylphenyl)quinolin-4-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for [2-(3,4-dimethylphenyl)quinolin-4-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone is Cc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c3ccccc3n2)cc1C.
What is the InChIKey of [2-(3,4-dimethylphenyl)quinolin-4-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
The InChIKey is JBFQTTDSJJOSHM-IRXDYDNUSA-N. The full InChI is InChI=1S/C25H28N2O/c1-16-11-17(2)15-27(14-16)25(28)22-13-24(20-10-9-18(3)19(4)12-20)26-23-8-6-5-7-21(22)23/h5-10,12-13,16-17H,11,14-15H2,1-4H3/t16-,17-/m0/s1.
What are the key properties of [2-(3,4-dimethylphenyl)quinolin-4-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone?
[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone has a molecular weight of 372.51 g/mol, XLogP of 5.64, 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]-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 1220276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).