N-(3-chlorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide

C18H19ClN2O3 — CID 91904502

IUPACN-(3-chlorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCCOc1cc(=O)n2c(c1C(=O)Nc1cccc(Cl)c1)CCCC2
InChIInChI=1S/C18H19ClN2O3/c1-2-24-15-11-16(22)21-9-4-3-8-14(21)17(15)18(23)20-13-7-5-6-12(19)10-13/h5-7,10-11H,2-4,8-9H2,1H3,(H,20,23)
InChIKeyXIZGXPIJKKLJAB-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.49
Rot. Bonds4

About N-(3-chlorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide

N-(3-chlorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (PubChem CID 91904502) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
PubChem CID91904502
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-(3-chlorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCCOc1cc(=O)n2c(c1C(=O)Nc1cccc(Cl)c1)CCCC2
InChIInChI=1S/C18H19ClN2O3/c1-2-24-15-11-16(22)21-9-4-3-8-14(21)17(15)18(23)20-13-7-5-6-12(19)10-13/h5-7,10-11H,2-4,8-9H2,1H3,(H,20,23)
InChIKeyXIZGXPIJKKLJAB-UHFFFAOYSA-N
XLogP3.49
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-4-oxo-N-(3-propan-2-ylphenyl)-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91904530
N-(4-chloro-3-methylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91914319
N-(5-chloro-2-methylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91904505
7-ethoxy-N-(4-methylphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CID 51364640
N-(2,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91914310
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
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
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxy-6,7,8,9-tetrahydroquinolizin-4-one
CID 91914312
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

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (CID 91904502) is N-(3-chlorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is CCOc1cc(=O)n2c(c1C(=O)Nc1cccc(Cl)c1)CCCC2.
What is the InChIKey of N-(3-chlorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The InChIKey is XIZGXPIJKKLJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-2-24-15-11-16(22)21-9-4-3-8-14(21)17(15)18(23)20-13-7-5-6-12(19)10-13/h5-7,10-11H,2-4,8-9H2,1H3,(H,20,23).
What are the key properties of N-(3-chlorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
N-(3-chlorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide has a molecular weight of 346.81 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is sourced from PubChem (CID 91904502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).