2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone

C25H30N2O4 — CID 42997091

IUPAC2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
SMILESCCOc1cc(C(=O)N2CCCc3ccccc32)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C25H30N2O4/c1-2-30-23-17-20(25(29)27-16-8-10-19-9-4-5-11-21(19)27)12-13-22(23)31-18-24(28)26-14-6-3-7-15-26/h4-5,9,11-13,17H,2-3,6-8,10,14-16,18H2,1H3
InChIKeyIZMSQBXTXBBQSX-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.07
Rot. Bonds6

About 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone

2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone (PubChem CID 42997091) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
PubChem CID42997091
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
SMILESCCOc1cc(C(=O)N2CCCc3ccccc32)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C25H30N2O4/c1-2-30-23-17-20(25(29)27-16-8-10-19-9-4-5-11-21(19)27)12-13-22(23)31-18-24(28)26-14-6-3-7-15-26/h4-5,9,11-13,17H,2-3,6-8,10,14-16,18H2,1H3
InChIKeyIZMSQBXTXBBQSX-UHFFFAOYSA-N
XLogP4.07
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone with MolForge

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Related Compounds

2-[2-ethoxy-4-[6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone
CID 43059989
2-[4-(2,3-dihydroindole-1-carbonyl)-2-ethoxyphenoxy]-1-morpholin-4-ylethanone
CID 8012463
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
CID 42975907
2-[2-ethoxy-4-(6-nitro-2,3-dihydroindole-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone
CID 37162660
(3-bromo-4-ethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 17073764
3-(3,4-diethoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one
CID 1178477
3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46570210
2-[2-ethoxy-4-(2-ethylpiperidine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone
CID 112760204
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
N-benzyl-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 29260956
1-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-N-methylpiperidine-4-carboxamide
CID 43064079

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone (CID 42997091) is 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone is CCOc1cc(C(=O)N2CCCc3ccccc32)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone?
The InChIKey is IZMSQBXTXBBQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-2-30-23-17-20(25(29)27-16-8-10-19-9-4-5-11-21(19)27)12-13-22(23)31-18-24(28)26-14-6-3-7-15-26/h4-5,9,11-13,17H,2-3,6-8,10,14-16,18H2,1H3.
What are the key properties of 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone?
2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone has a molecular weight of 422.53 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone is sourced from PubChem (CID 42997091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).