1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]ethanone

C26H32N2O4 — CID 42925515

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]ethanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1ccc(OCC(=O)N2C(C)CCCC2C)cc1
InChIInChI=1S/C26H32N2O4/c1-18-6-4-7-19(2)28(18)25(29)17-32-22-11-9-20(10-12-22)26(30)27-15-5-8-21-16-23(31-3)13-14-24(21)27/h9-14,16,18-19H,4-8,15,17H2,1-3H3
InChIKeySRWGAMNJQKXXHS-UHFFFAOYSA-N
MW436.55 g/mol
LogP4.46
Rot. Bonds5

About 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]ethanone

1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]ethanone (PubChem CID 42925515) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]ethanone
PubChem CID42925515
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]ethanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1ccc(OCC(=O)N2C(C)CCCC2C)cc1
InChIInChI=1S/C26H32N2O4/c1-18-6-4-7-19(2)28(18)25(29)17-32-22-11-9-20(10-12-22)26(30)27-15-5-8-21-16-23(31-3)13-14-24(21)27/h9-14,16,18-19H,4-8,15,17H2,1-3H3
InChIKeySRWGAMNJQKXXHS-UHFFFAOYSA-N
XLogP4.46
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]ethanone with MolForge

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Related Compounds

(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 18122068
3-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]benzonitrile
CID 51286920
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
(6-fluoro-3-pyridinyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63979492
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46543036
3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoic acid
CID 16769713
1-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 55916431
2-[4-(4-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119373285
1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone
CID 119560215
1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenoxy]ethanone
CID 55339075
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]propan-1-one
CID 78760343
1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone;hydrochloride
CID 119560214

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]ethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]ethanone (CID 42925515) is 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]ethanone is COc1ccc2c(c1)CCCN2C(=O)c1ccc(OCC(=O)N2C(C)CCCC2C)cc1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]ethanone?
The InChIKey is SRWGAMNJQKXXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-18-6-4-7-19(2)28(18)25(29)17-32-22-11-9-20(10-12-22)26(30)27-15-5-8-21-16-23(31-3)13-14-24(21)27/h9-14,16,18-19H,4-8,15,17H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]ethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]ethanone has a molecular weight of 436.55 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]ethanone is sourced from PubChem (CID 42925515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).