[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone

C27H25ClN4O — CID 110089801

IUPAC[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
SMILESCc1nc2ccc(C(=O)N3CCCC(c4cccc(-c5cccc(Cl)c5)n4)C3)cc2nc1C
InChIInChI=1S/C27H25ClN4O/c1-17-18(2)30-26-15-20(11-12-25(26)29-17)27(33)32-13-5-7-21(16-32)24-10-4-9-23(31-24)19-6-3-8-22(28)14-19/h3-4,6,8-12,14-15,21H,5,7,13,16H2,1-2H3
InChIKeyKQRREERFJYODTG-UHFFFAOYSA-N
MW456.98 g/mol
LogP5.98
Rot. Bonds3

About [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone

[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone (PubChem CID 110089801) has the molecular formula C27H25ClN4O and a molecular weight of 456.98 g/mol. Its IUPAC name is [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone.

Molecular Properties

Compound Name[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
PubChem CID110089801
Molecular FormulaC27H25ClN4O
Molecular Weight456.98 g/mol
Exact Mass456.17
IUPAC Name[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
SMILESCc1nc2ccc(C(=O)N3CCCC(c4cccc(-c5cccc(Cl)c5)n4)C3)cc2nc1C
InChIInChI=1S/C27H25ClN4O/c1-17-18(2)30-26-15-20(11-12-25(26)29-17)27(33)32-13-5-7-21(16-32)24-10-4-9-23(31-24)19-6-3-8-22(28)14-19/h3-4,6,8-12,14-15,21H,5,7,13,16H2,1-2H3
InChIKeyKQRREERFJYODTG-UHFFFAOYSA-N
XLogP5.98
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.98
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone with MolForge

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Related Compounds

[(3R)-3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95810181
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945
[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110249855
[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-quinolin-2-ylmethanone
CID 110089800
N-[3-[6-(1-benzoylpiperidin-3-yl)-2-pyridinyl]phenyl]acetamide
CID 110249286
(2,3-dimethylquinoxalin-6-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72840658
(2-methyl-1-benzofuran-5-yl)-[3-(6-phenyl-2-pyridinyl)piperidin-1-yl]methanone
CID 110089978
[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 97139854
3-[6-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 110249773
quinolin-6-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 129453468
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296
(3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide
CID 94457790

Frequently Asked Questions

What is the IUPAC name of [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone?
The IUPAC name of [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone (CID 110089801) is [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone.
What is the SMILES notation for [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone?
The canonical SMILES for [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone is Cc1nc2ccc(C(=O)N3CCCC(c4cccc(-c5cccc(Cl)c5)n4)C3)cc2nc1C.
What is the InChIKey of [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone?
The InChIKey is KQRREERFJYODTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O/c1-17-18(2)30-26-15-20(11-12-25(26)29-17)27(33)32-13-5-7-21(16-32)24-10-4-9-23(31-24)19-6-3-8-22(28)14-19/h3-4,6,8-12,14-15,21H,5,7,13,16H2,1-2H3.
What are the key properties of [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone?
[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone has a molecular weight of 456.98 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone is sourced from PubChem (CID 110089801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).