[2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C21H25N3O — CID 84576421

IUPAC[2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccnc2N2CCCc3ccccc32)CC1
InChIInChI=1S/C21H25N3O/c1-16-10-14-23(15-11-16)21(25)18-8-4-12-22-20(18)24-13-5-7-17-6-2-3-9-19(17)24/h2-4,6,8-9,12,16H,5,7,10-11,13-15H2,1H3
InChIKeyIVLKJYBHZFKXGV-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.04
Rot. Bonds2

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

[2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 84576421) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID84576421
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccnc2N2CCCc3ccccc32)CC1
InChIInChI=1S/C21H25N3O/c1-16-10-14-23(15-11-16)21(25)18-8-4-12-22-20(18)24-13-5-7-17-6-2-3-9-19(17)24/h2-4,6,8-9,12,16H,5,7,10-11,13-15H2,1H3
InChIKeyIVLKJYBHZFKXGV-UHFFFAOYSA-N
XLogP4.04
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

[5-(3,4-dihydro-2H-quinolin-1-yl)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275086
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 84576434
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109081719
(2-fluoro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 107358377
N-cyclopropyl-2-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 84576404
3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone
CID 108987982
[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109095477
[2-(2-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 3192324
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
[4-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203703
(3,5-dimethylpiperidin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84575076
2-(4-methylazepane-1-carbonyl)pyridine-3-carboxylic acid
CID 63622054

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 84576421) is [2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cccnc2N2CCCc3ccccc32)CC1.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is IVLKJYBHZFKXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-16-10-14-23(15-11-16)21(25)18-8-4-12-22-20(18)24-13-5-7-17-6-2-3-9-19(17)24/h2-4,6,8-9,12,16H,5,7,10-11,13-15H2,1H3.
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 335.45 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 84576421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).