[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-pyridin-2-ylmethanone

C17H19N3O — CID 110741370

IUPAC[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-pyridin-2-ylmethanone
SMILESCN(C)C1CCN(C(=O)c2ccccn2)c2ccccc21
InChIInChI=1S/C17H19N3O/c1-19(2)15-10-12-20(16-9-4-3-7-13(15)16)17(21)14-8-5-6-11-18-14/h3-9,11,15H,10,12H2,1-2H3
InChIKeyAYGMIVWQOGUXDD-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.73
Rot. Bonds2

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

[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-pyridin-2-ylmethanone (PubChem CID 110741370) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-pyridin-2-ylmethanone
PubChem CID110741370
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-pyridin-2-ylmethanone
SMILESCN(C)C1CCN(C(=O)c2ccccn2)c2ccccc21
InChIInChI=1S/C17H19N3O/c1-19(2)15-10-12-20(16-9-4-3-7-13(15)16)17(21)14-8-5-6-11-18-14/h3-9,11,15H,10,12H2,1-2H3
InChIKeyAYGMIVWQOGUXDD-UHFFFAOYSA-N
XLogP2.73
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 110709406
[(4R)-4-(dimethylamino)azepan-1-yl]-pyridin-2-ylmethanone
CID 95710719
2-(3-chlorophenyl)-1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 110709401
[5-(dimethylamino)pyrazin-2-yl]-[4-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 138009854
N-[(2S,4R)-2-methyl-1-(pyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 69430847
2-chloro-N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide
CID 10837161
N-[4-[(5R)-5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
CID 51397025
(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-pyridin-2-ylmethanone
CID 107388591
[4-(2-methylphenyl)sulfanylpiperidin-1-yl]-pyridin-2-ylmethanone
CID 70757092
N-methyl-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
CID 86983172
1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110814030
N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-fluorobenzamide
CID 19608024

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-pyridin-2-ylmethanone (CID 110741370) is [4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-pyridin-2-ylmethanone is CN(C)C1CCN(C(=O)c2ccccn2)c2ccccc21.
What is the InChIKey of [4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is AYGMIVWQOGUXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-19(2)15-10-12-20(16-9-4-3-7-13(15)16)17(21)14-8-5-6-11-18-14/h3-9,11,15H,10,12H2,1-2H3.
What are the key properties of [4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-pyridin-2-ylmethanone?
[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 281.36 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 110741370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).