[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-quinolin-2-ylmethanone

C26H22ClN3O — CID 110089800

IUPAC[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1
InChIInChI=1S/C26H22ClN3O/c27-21-9-3-7-19(16-21)23-11-4-12-24(28-23)20-8-5-15-30(17-20)26(31)25-14-13-18-6-1-2-10-22(18)29-25/h1-4,6-7,9-14,16,20H,5,8,15,17H2
InChIKeyBJQLYJIGOHXIDI-UHFFFAOYSA-N
MW427.94 g/mol
LogP5.97
Rot. Bonds3

About [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-quinolin-2-ylmethanone

[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-quinolin-2-ylmethanone (PubChem CID 110089800) has the molecular formula C26H22ClN3O and a molecular weight of 427.94 g/mol. Its IUPAC name is [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-quinolin-2-ylmethanone
PubChem CID110089800
Molecular FormulaC26H22ClN3O
Molecular Weight427.94 g/mol
Exact Mass427.15
IUPAC Name[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1
InChIInChI=1S/C26H22ClN3O/c27-21-9-3-7-19(16-21)23-11-4-12-24(28-23)20-8-5-15-30(17-20)26(31)25-14-13-18-6-1-2-10-22(18)29-25/h1-4,6-7,9-14,16,20H,5,8,15,17H2
InChIKeyBJQLYJIGOHXIDI-UHFFFAOYSA-N
XLogP5.97
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.94
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

quinolin-2-yl-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 129456481
quinolin-2-yl-[(3R)-3-(6-thiophen-2-yl-2-pyridinyl)piperidin-1-yl]methanone
CID 95811068
[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110089801
[(3R)-3-pyrazin-2-ylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 124964601
(3-pyrazin-2-ylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 127246090
[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 110249855
[(3R)-3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95810181
(3-phenylazepan-1-yl)-quinolin-2-ylmethanone
CID 90608386
[(3R)-3-aminopiperidin-1-yl]-quinolin-2-ylmethanone
CID 102978482
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945
1-(quinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 16792484
(3R)-1-(quinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 30121810

Frequently Asked Questions

What is the IUPAC name of [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-quinolin-2-ylmethanone (CID 110089800) is [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-quinolin-2-ylmethanone is O=C(c1ccc2ccccc2n1)N1CCCC(c2cccc(-c3cccc(Cl)c3)n2)C1.
What is the InChIKey of [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is BJQLYJIGOHXIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O/c27-21-9-3-7-19(16-21)23-11-4-12-24(28-23)20-8-5-15-30(17-20)26(31)25-14-13-18-6-1-2-10-22(18)29-25/h1-4,6-7,9-14,16,20H,5,8,15,17H2.
What are the key properties of [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-quinolin-2-ylmethanone?
[3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 427.94 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 110089800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).