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

C24H26N2O3 — CID 1022755

IUPAC[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C)c3ccccc3n2)cc1OC
InChIInChI=1S/C24H26N2O3/c1-16-8-6-7-13-26(16)24(27)19-15-21(25-20-10-5-4-9-18(19)20)17-11-12-22(28-2)23(14-17)29-3/h4-5,9-12,14-16H,6-8,13H2,1-3H3/t16-/m1/s1
InChIKeyZVAWENWXTHPNKN-MRXNPFEDSA-N
MW390.48 g/mol
LogP4.93
Rot. Bonds4

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

[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone (PubChem CID 1022755) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
PubChem CID1022755
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C)c3ccccc3n2)cc1OC
InChIInChI=1S/C24H26N2O3/c1-16-8-6-7-13-26(16)24(27)19-15-21(25-20-10-5-4-9-18(19)20)17-11-12-22(28-2)23(14-17)29-3/h4-5,9-12,14-16H,6-8,13H2,1-3H3/t16-/m1/s1
InChIKeyZVAWENWXTHPNKN-MRXNPFEDSA-N
XLogP4.93
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[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
cyclohexyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 23823125
1,4-diazepan-1-yl-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone
CID 119416604
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 7395353
[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 4259485
[4-[2-(4-methoxyphenyl)quinoline-4-carbonyl]-2,5-dimethylpiperazin-1-yl]-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 4605822
(2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46988948
[4-(4-chlorophenyl)piperazin-1-yl]-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone
CID 4535152
(2,6-dimethylpiperidin-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 4224556
[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 44823378
[(2R)-1-amino-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 7417732

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone (CID 1022755) is [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C)c3ccccc3n2)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The InChIKey is ZVAWENWXTHPNKN-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-16-8-6-7-13-26(16)24(27)19-15-21(25-20-10-5-4-9-18(19)20)17-11-12-22(28-2)23(14-17)29-3/h4-5,9-12,14-16H,6-8,13H2,1-3H3/t16-/m1/s1.
What are the key properties of [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone?
[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone has a molecular weight of 390.48 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 1022755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).