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

C21H25N3O — CID 84573748

IUPAC[6-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cccc(N2CCCCCC2)n1)N1CCCc2ccccc21
InChIInChI=1S/C21H25N3O/c25-21(24-16-8-10-17-9-3-4-12-19(17)24)18-11-7-13-20(22-18)23-14-5-1-2-6-15-23/h3-4,7,9,11-13H,1-2,5-6,8,10,14-16H2
InChIKeyKJLUAFDXDWKQDP-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.05
Rot. Bonds2

About [6-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[6-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 84573748) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is [6-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[6-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID84573748
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name[6-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1cccc(N2CCCCCC2)n1)N1CCCc2ccccc21
InChIInChI=1S/C21H25N3O/c25-21(24-16-8-10-17-9-3-4-12-19(17)24)18-11-7-13-20(22-18)23-14-5-1-2-6-15-23/h3-4,7,9,11-13H,1-2,5-6,8,10,14-16H2
InChIKeyKJLUAFDXDWKQDP-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [6-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(6-piperidin-1-yl-2-pyridinyl)methanone
CID 84573646
3,4-dihydro-2H-quinolin-1-yl-(6-morpholin-4-yl-2-pyridinyl)methanone
CID 84573879
6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid
CID 43558372
[5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109196863
[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109334352
3,4-dihydro-2H-quinolin-1-yl-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109322335
N-tert-butyl-6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxamide
CID 109099143
azepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone
CID 84573821
3,4-dihydro-2H-quinolin-1-yl-(8-hydroxyquinolin-2-yl)methanone
CID 46364191
[6-(cyclopropylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 84570920
[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109095477
N-(2,6-difluorophenyl)-6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxamide
CID 109100371

Frequently Asked Questions

What is the IUPAC name of [6-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [6-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 84573748) is [6-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [6-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [6-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1cccc(N2CCCCCC2)n1)N1CCCc2ccccc21.
What is the InChIKey of [6-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is KJLUAFDXDWKQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c25-21(24-16-8-10-17-9-3-4-12-19(17)24)18-11-7-13-20(22-18)23-14-5-1-2-6-15-23/h3-4,7,9,11-13H,1-2,5-6,8,10,14-16H2.
What are the key properties of [6-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[6-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 335.45 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 84573748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).