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

C19H22N2O3S — CID 91904541

IUPAC2-ethoxy-N-(4-methylsulfanylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCCOc1cc(=O)n2c(c1C(=O)Nc1ccc(SC)cc1)CCCC2
InChIInChI=1S/C19H22N2O3S/c1-3-24-16-12-17(22)21-11-5-4-6-15(21)18(16)19(23)20-13-7-9-14(25-2)10-8-13/h7-10,12H,3-6,11H2,1-2H3,(H,20,23)
InChIKeySIHHKEJZZURVII-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.56
Rot. Bonds5

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

2-ethoxy-N-(4-methylsulfanylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (PubChem CID 91904541) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-ethoxy-N-(4-methylsulfanylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(4-methylsulfanylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
PubChem CID91904541
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name2-ethoxy-N-(4-methylsulfanylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCCOc1cc(=O)n2c(c1C(=O)Nc1ccc(SC)cc1)CCCC2
InChIInChI=1S/C19H22N2O3S/c1-3-24-16-12-17(22)21-11-5-4-6-15(21)18(16)19(23)20-13-7-9-14(25-2)10-8-13/h7-10,12H,3-6,11H2,1-2H3,(H,20,23)
InChIKeySIHHKEJZZURVII-UHFFFAOYSA-N
XLogP3.56
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-ethoxy-N-(4-methylphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CID 51364640
2-ethoxy-4-oxo-N-(4-sulfamoylphenyl)-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91904521
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
N-(3,4-dimethoxyphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91904425
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-dichlorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91904419
N-(3-chloro-4-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91904418
2-ethoxy-1-(4-methylpiperazine-1-carbonyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
CID 91914250

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(4-methylsulfanylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The IUPAC name of 2-ethoxy-N-(4-methylsulfanylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (CID 91904541) is 2-ethoxy-N-(4-methylsulfanylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(4-methylsulfanylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-(4-methylsulfanylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is CCOc1cc(=O)n2c(c1C(=O)Nc1ccc(SC)cc1)CCCC2.
What is the InChIKey of 2-ethoxy-N-(4-methylsulfanylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The InChIKey is SIHHKEJZZURVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-3-24-16-12-17(22)21-11-5-4-6-15(21)18(16)19(23)20-13-7-9-14(25-2)10-8-13/h7-10,12H,3-6,11H2,1-2H3,(H,20,23).
What are the key properties of 2-ethoxy-N-(4-methylsulfanylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
2-ethoxy-N-(4-methylsulfanylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(4-methylsulfanylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is sourced from PubChem (CID 91904541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).