2-ethoxy-4-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydroquinolizine-1-carboxamide

C18H21N3O5S — CID 91904521

IUPAC2-ethoxy-4-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCCOc1cc(=O)n2c(c1C(=O)Nc1ccc(S(N)(=O)=O)cc1)CCCC2
InChIInChI=1S/C18H21N3O5S/c1-2-26-15-11-16(22)21-10-4-3-5-14(21)17(15)18(23)20-12-6-8-13(9-7-12)27(19,24)25/h6-9,11H,2-5,10H2,1H3,(H,20,23)(H2,19,24,25)
InChIKeyOUOBEPJCUFLFFT-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.48
Rot. Bonds5

About 2-ethoxy-4-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydroquinolizine-1-carboxamide

2-ethoxy-4-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydroquinolizine-1-carboxamide (PubChem CID 91904521) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-ethoxy-4-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydroquinolizine-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-4-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydroquinolizine-1-carboxamide
PubChem CID91904521
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name2-ethoxy-4-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCCOc1cc(=O)n2c(c1C(=O)Nc1ccc(S(N)(=O)=O)cc1)CCCC2
InChIInChI=1S/C18H21N3O5S/c1-2-26-15-11-16(22)21-10-4-3-5-14(21)17(15)18(23)20-12-6-8-13(9-7-12)27(19,24)25/h6-9,11H,2-5,10H2,1H3,(H,20,23)(H2,19,24,25)
InChIKeyOUOBEPJCUFLFFT-UHFFFAOYSA-N
XLogP1.48
TPSA120.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-ethoxy-4-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydroquinolizine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-N-(4-methylsulfanylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91904541
7-ethoxy-N-(4-methylphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CID 51364640
N-(4-chloro-3-methylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91914319
N-(3-chlorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91904502
2-ethoxy-4-oxo-N-(3-propan-2-ylphenyl)-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91904530
N-(2,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91914310
N-(5-chloro-2-methylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91904505
2-ethoxy-4-oxo-N-(3-piperidin-1-ylpropyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide
CID 91914328
N-(3,4-dimethoxyphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91904425
2-ethoxy-1-(4-methylpiperazine-1-carbonyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
CID 91914250
(4-methylphenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate
CID 53338058
N-(3,4-dichlorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91904419

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The IUPAC name of 2-ethoxy-4-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydroquinolizine-1-carboxamide (CID 91904521) is 2-ethoxy-4-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydroquinolizine-1-carboxamide.
What is the SMILES notation for 2-ethoxy-4-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The canonical SMILES for 2-ethoxy-4-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydroquinolizine-1-carboxamide is CCOc1cc(=O)n2c(c1C(=O)Nc1ccc(S(N)(=O)=O)cc1)CCCC2.
What is the InChIKey of 2-ethoxy-4-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The InChIKey is OUOBEPJCUFLFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-2-26-15-11-16(22)21-10-4-3-5-14(21)17(15)18(23)20-12-6-8-13(9-7-12)27(19,24)25/h6-9,11H,2-5,10H2,1H3,(H,20,23)(H2,19,24,25).
What are the key properties of 2-ethoxy-4-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
2-ethoxy-4-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydroquinolizine-1-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydroquinolizine-1-carboxamide is sourced from PubChem (CID 91904521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).