[4-(dimethylamino)phenyl]-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

C19H22N2O2 — CID 110741415

IUPAC[4-(dimethylamino)phenyl]-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc(N(C)C)cc2)c2ccccc21
InChIInChI=1S/C19H22N2O2/c1-20(2)15-10-8-14(9-11-15)19(22)21-13-12-18(23-3)16-6-4-5-7-17(16)21/h4-11,18H,12-13H2,1-3H3
InChIKeyOHMOMXWRHKBOPC-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.49
Rot. Bonds3

About [4-(dimethylamino)phenyl]-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

[4-(dimethylamino)phenyl]-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 110741415) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID110741415
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name[4-(dimethylamino)phenyl]-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc(N(C)C)cc2)c2ccccc21
InChIInChI=1S/C19H22N2O2/c1-20(2)15-10-8-14(9-11-15)19(22)21-13-12-18(23-3)16-6-4-5-7-17(16)21/h4-11,18H,12-13H2,1-3H3
InChIKeyOHMOMXWRHKBOPC-UHFFFAOYSA-N
XLogP3.49
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 110709476
(4-fluorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110709472
1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110709451
(2-chlorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110709489
(4-aminophenyl)-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 19607756
N-cyclohexyl-4-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110746959
2-(2-fluorophenyl)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110709515
4-methoxy-1-methyl-3,4-dihydro-2H-quinoline
CID 15531030
(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110636820
[4-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-(4-nitrophenyl)methanone
CID 19607772
[1-(4-nitrobenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl] 2-(dimethylamino)acetate
CID 19608199
[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-phenylmethanone
CID 114335708

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 110741415) is [4-(dimethylamino)phenyl]-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is COC1CCN(C(=O)c2ccc(N(C)C)cc2)c2ccccc21.
What is the InChIKey of [4-(dimethylamino)phenyl]-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is OHMOMXWRHKBOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-20(2)15-10-8-14(9-11-15)19(22)21-13-12-18(23-3)16-6-4-5-7-17(16)21/h4-11,18H,12-13H2,1-3H3.
What are the key properties of [4-(dimethylamino)phenyl]-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
[4-(dimethylamino)phenyl]-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 310.40 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 110741415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).