1-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxy-6,7,8,9-tetrahydroquinolizin-4-one

C21H24N2O3 — CID 91914312

IUPAC1-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxy-6,7,8,9-tetrahydroquinolizin-4-one
SMILESCCOc1cc(=O)n2c(c1C(=O)N1CCCc3ccccc31)CCCC2
InChIInChI=1S/C21H24N2O3/c1-2-26-18-14-19(24)22-12-6-5-11-17(22)20(18)21(25)23-13-7-9-15-8-3-4-10-16(15)23/h3-4,8,10,14H,2,5-7,9,11-13H2,1H3
InChIKeyYBFZOTAGDZJLFX-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.18
Rot. Bonds3

About 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxy-6,7,8,9-tetrahydroquinolizin-4-one

1-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxy-6,7,8,9-tetrahydroquinolizin-4-one (PubChem CID 91914312) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxy-6,7,8,9-tetrahydroquinolizin-4-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxy-6,7,8,9-tetrahydroquinolizin-4-one
PubChem CID91914312
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxy-6,7,8,9-tetrahydroquinolizin-4-one
SMILESCCOc1cc(=O)n2c(c1C(=O)N1CCCc3ccccc31)CCCC2
InChIInChI=1S/C21H24N2O3/c1-2-26-18-14-19(24)22-12-6-5-11-17(22)20(18)21(25)23-13-7-9-15-8-3-4-10-16(15)23/h3-4,8,10,14H,2,5-7,9,11-13H2,1H3
InChIKeyYBFZOTAGDZJLFX-UHFFFAOYSA-N
XLogP3.18
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxy-6,7,8,9-tetrahydroquinolizin-4-one with MolForge

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Related Compounds

7-ethoxy-N-(4-methylphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CID 51364640
3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
CID 5061013
2-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 42997091
(4-methylphenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate
CID 53338058
ethyl 3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxylate
CID 10376695
3-(3,4-diethoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)prop-2-en-1-one
CID 1178477
(4-bromo-1-ethylpyrrol-2-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 62490914
(3-bromo-4-ethoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 17073764
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
CID 8703661
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridin-4-one
CID 110857132
(2-amino-6-methoxyphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81393898
2-(3,4-diethoxyphenyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]acetamide
CID 53125952

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxy-6,7,8,9-tetrahydroquinolizin-4-one?
The IUPAC name of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxy-6,7,8,9-tetrahydroquinolizin-4-one (CID 91914312) is 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxy-6,7,8,9-tetrahydroquinolizin-4-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxy-6,7,8,9-tetrahydroquinolizin-4-one?
The canonical SMILES for 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxy-6,7,8,9-tetrahydroquinolizin-4-one is CCOc1cc(=O)n2c(c1C(=O)N1CCCc3ccccc31)CCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxy-6,7,8,9-tetrahydroquinolizin-4-one?
The InChIKey is YBFZOTAGDZJLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-2-26-18-14-19(24)22-12-6-5-11-17(22)20(18)21(25)23-13-7-9-15-8-3-4-10-16(15)23/h3-4,8,10,14H,2,5-7,9,11-13H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxy-6,7,8,9-tetrahydroquinolizin-4-one?
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxy-6,7,8,9-tetrahydroquinolizin-4-one has a molecular weight of 352.43 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxy-6,7,8,9-tetrahydroquinolizin-4-one is sourced from PubChem (CID 91914312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).