1-[[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]piperidin-2-one

C21H25N3O — CID 123139132

IUPAC1-[[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]piperidin-2-one
SMILESCN1CCCc2cc(-c3cncc(CN4CCCCC4=O)c3)ccc21
InChIInChI=1S/C21H25N3O/c1-23-9-4-5-18-12-17(7-8-20(18)23)19-11-16(13-22-14-19)15-24-10-3-2-6-21(24)25/h7-8,11-14H,2-6,9-10,15H2,1H3
InChIKeyGQWCJLMQPFOLPQ-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.64
Rot. Bonds3

About 1-[[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]piperidin-2-one

1-[[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]piperidin-2-one (PubChem CID 123139132) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]piperidin-2-one
PubChem CID123139132
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name1-[[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]piperidin-2-one
SMILESCN1CCCc2cc(-c3cncc(CN4CCCCC4=O)c3)ccc21
InChIInChI=1S/C21H25N3O/c1-23-9-4-5-18-12-17(7-8-20(18)23)19-11-16(13-22-14-19)15-24-10-3-2-6-21(24)25/h7-8,11-14H,2-6,9-10,15H2,1H3
InChIKeyGQWCJLMQPFOLPQ-UHFFFAOYSA-N
XLogP3.64
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]piperidin-2-one with MolForge

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Related Compounds

1-methyl-6-[5-[(2-oxopyrrolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 71533333
1-methyl-6-pyrimidin-5-yl-3,4-dihydro-2H-quinoline
CID 121385714
5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyridine-3-carbonitrile
CID 121385664
[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]methanamine
CID 39226329
1-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]propan-2-one
CID 82540729
1-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 62066674
1-methyl-6-[5-[(2-oxo-1-pyridinyl)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 86297103
6-[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 71533335
1-[5-(1-methyl-2,3-dihydroindol-5-yl)-3-pyridinyl]ethanone
CID 82540878
6-[5-[(2-fluoro-6-oxo-1-pyridinyl)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 86297487
1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propyl]pyrrolidin-2-one
CID 62096164
1-methyl-6-[5-[(nonylamino)methyl]-3-pyridinyl]-3,4-dihydroquinolin-2-one
CID 151905560

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]piperidin-2-one?
The IUPAC name of 1-[[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]piperidin-2-one (CID 123139132) is 1-[[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]piperidin-2-one is CN1CCCc2cc(-c3cncc(CN4CCCCC4=O)c3)ccc21.
What is the InChIKey of 1-[[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]piperidin-2-one?
The InChIKey is GQWCJLMQPFOLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-23-9-4-5-18-12-17(7-8-20(18)23)19-11-16(13-22-14-19)15-24-10-3-2-6-21(24)25/h7-8,11-14H,2-6,9-10,15H2,1H3.
What are the key properties of 1-[[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]piperidin-2-one?
1-[[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]piperidin-2-one has a molecular weight of 335.45 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-3-pyridinyl]methyl]piperidin-2-one is sourced from PubChem (CID 123139132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).