1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one

C20H25N3O — CID 109026189

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
SMILESCN(CCC(=O)N1CCCc2ccccc21)CCc1ccncc1
InChIInChI=1S/C20H25N3O/c1-22(15-10-17-8-12-21-13-9-17)16-11-20(24)23-14-4-6-18-5-2-3-7-19(18)23/h2-3,5,7-9,12-13H,4,6,10-11,14-16H2,1H3
InChIKeyBOFCAJZOWJHHQT-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.93
Rot. Bonds6

About 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one

1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one (PubChem CID 109026189) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
PubChem CID109026189
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
SMILESCN(CCC(=O)N1CCCc2ccccc21)CCc1ccncc1
InChIInChI=1S/C20H25N3O/c1-22(15-10-17-8-12-21-13-9-17)16-11-20(24)23-14-4-6-18-5-2-3-7-19(18)23/h2-3,5,7-9,12-13H,4,6,10-11,14-16H2,1H3
InChIKeyBOFCAJZOWJHHQT-UHFFFAOYSA-N
XLogP2.93
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one with MolForge

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide
CID 108505672
3,4-dihydro-2H-quinolin-1-yl-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]methanone
CID 109192967
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one
CID 110649672
N-tert-butyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113122514
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
N-cyclopentyl-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]acetamide
CID 113116402
2,3-dihydroindol-1-yl-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-4-yl]methanone
CID 109308958
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(2-phenylethylamino)propan-1-one
CID 109024285
2-(2,3-dihydroindol-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001520
N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-N-[(4-methylphenyl)methyl]acetamide
CID 113118805
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]propan-1-one
CID 50958802
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoate
CID 3663082

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one (CID 109026189) is 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one is CN(CCC(=O)N1CCCc2ccccc21)CCc1ccncc1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one?
The InChIKey is BOFCAJZOWJHHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-22(15-10-17-8-12-21-13-9-17)16-11-20(24)23-14-4-6-18-5-2-3-7-19(18)23/h2-3,5,7-9,12-13H,4,6,10-11,14-16H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one?
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one has a molecular weight of 323.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one is sourced from PubChem (CID 109026189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).