[4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone

C20H23N3O — CID 109204447

IUPAC[4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(N2CCCc3ccccc32)ccn1)N1CCCCC1
InChIInChI=1S/C20H23N3O/c24-20(22-12-4-1-5-13-22)18-15-17(10-11-21-18)23-14-6-8-16-7-2-3-9-19(16)23/h2-3,7,9-11,15H,1,4-6,8,12-14H2
InChIKeyFVXCJDIYGRYKPC-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.79
Rot. Bonds2

About [4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone

[4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 109204447) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is [4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
PubChem CID109204447
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name[4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(N2CCCc3ccccc32)ccn1)N1CCCCC1
InChIInChI=1S/C20H23N3O/c24-20(22-12-4-1-5-13-22)18-15-17(10-11-21-18)23-14-6-8-16-7-2-3-9-19(16)23/h2-3,7,9-11,15H,1,4-6,8,12-14H2
InChIKeyFVXCJDIYGRYKPC-UHFFFAOYSA-N
XLogP3.79
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203703
[4-(2,3-dihydroindol-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203702
[6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341707
4-(3,4-dihydro-2H-quinolin-1-yl)-N-phenylpyridine-2-carboxamide
CID 109218742
N-cyclopentyl-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109204075
[2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109090729
[6-(3,4-dihydro-2H-quinolin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111976
N-(3-acetamidophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109219711
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205740
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213564
(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615
piperidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203804

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone (CID 109204447) is [4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone is O=C(c1cc(N2CCCc3ccccc32)ccn1)N1CCCCC1.
What is the InChIKey of [4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is FVXCJDIYGRYKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-20(22-12-4-1-5-13-22)18-15-17(10-11-21-18)23-14-6-8-16-7-2-3-9-19(16)23/h2-3,7,9-11,15H,1,4-6,8,12-14H2.
What are the key properties of [4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone?
[4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 321.42 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109204447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).