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

C18H18ClFN2O3 — CID 91904537

IUPACN-(4-chloro-3-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCCOc1cc(=O)n2c(c1C(=O)Nc1ccc(Cl)c(F)c1)CCCC2
InChIInChI=1S/C18H18ClFN2O3/c1-2-25-15-10-16(23)22-8-4-3-5-14(22)17(15)18(24)21-11-6-7-12(19)13(20)9-11/h6-7,9-10H,2-5,8H2,1H3,(H,21,24)
InChIKeyIRJFMZUKUPVVOR-UHFFFAOYSA-N
MW364.80 g/mol
LogP3.63
Rot. Bonds4

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

N-(4-chloro-3-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (PubChem CID 91904537) has the molecular formula C18H18ClFN2O3 and a molecular weight of 364.80 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
PubChem CID91904537
Molecular FormulaC18H18ClFN2O3
Molecular Weight364.80 g/mol
Exact Mass364.10
IUPAC NameN-(4-chloro-3-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCCOc1cc(=O)n2c(c1C(=O)Nc1ccc(Cl)c(F)c1)CCCC2
InChIInChI=1S/C18H18ClFN2O3/c1-2-25-15-10-16(23)22-8-4-3-5-14(22)17(15)18(24)21-11-6-7-12(19)13(20)9-11/h6-7,9-10H,2-5,8H2,1H3,(H,21,24)
InChIKeyIRJFMZUKUPVVOR-UHFFFAOYSA-N
XLogP3.63
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Fluorophenyl)-8-methoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904421
N-(2-Fluoro-4-methylphenyl)-8-methoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904468
N-(3-Fluoro-2-methylphenyl)-8-methoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904469
N-(3-Chloro-2-fluorophenyl)-8-ethoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904533
N-(2-Chloro-5-fluorophenyl)-8-ethoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904534
N-(4-Chloro-3-fluorophenyl)-8-methoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904467
N-(3-Chloro-4-fluorophenyl)-8-methoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904418
N-[2-Chloro-5-(trifluoromethyl)phenyl]-8-methoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904432
N-(3-Fluoro-4-methylphenyl)-8-methoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904437
N-(2-Chloro-4-fluorophenyl)-8-methoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904438
N-(2,4-Difluorophenyl)-8-methoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904440
N-(3-chloro-2-fluorophenyl)-8-methoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904465

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (CID 91904537) is N-(4-chloro-3-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is CCOc1cc(=O)n2c(c1C(=O)Nc1ccc(Cl)c(F)c1)CCCC2.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The InChIKey is IRJFMZUKUPVVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3/c1-2-25-15-10-16(23)22-8-4-3-5-14(22)17(15)18(24)21-11-6-7-12(19)13(20)9-11/h6-7,9-10H,2-5,8H2,1H3,(H,21,24).
What are the key properties of N-(4-chloro-3-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
N-(4-chloro-3-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide has a molecular weight of 364.80 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is sourced from PubChem (CID 91904537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).