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

C18H18BrFN2O3 — CID 91904498

IUPACN-(4-bromo-2-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCCOc1cc(=O)n2c(c1C(=O)Nc1ccc(Br)cc1F)CCCC2
InChIInChI=1S/C18H18BrFN2O3/c1-2-25-15-10-16(23)22-8-4-3-5-14(22)17(15)18(24)21-13-7-6-11(19)9-12(13)20/h6-7,9-10H,2-5,8H2,1H3,(H,21,24)
InChIKeyOALVOBYJJURTKG-UHFFFAOYSA-N
MW409.26 g/mol
LogP3.74
Rot. Bonds4

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

N-(4-bromo-2-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (PubChem CID 91904498) has the molecular formula C18H18BrFN2O3 and a molecular weight of 409.26 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
PubChem CID91904498
Molecular FormulaC18H18BrFN2O3
Molecular Weight409.26 g/mol
Exact Mass408.05
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCCOc1cc(=O)n2c(c1C(=O)Nc1ccc(Br)cc1F)CCCC2
InChIInChI=1S/C18H18BrFN2O3/c1-2-25-15-10-16(23)22-8-4-3-5-14(22)17(15)18(24)21-13-7-6-11(19)9-12(13)20/h6-7,9-10H,2-5,8H2,1H3,(H,21,24)
InChIKeyOALVOBYJJURTKG-UHFFFAOYSA-N
XLogP3.74
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.26
LogP ≤ 53.74
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-(4-Bromo-2-fluorophenyl)-8-methoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904434
N-(3-Fluoro-4-methylphenyl)-8-methoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904437
N-(2,4-Difluorophenyl)-8-methoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904440
8-Ethoxy-9-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2,3,4,6-tetrahydro-1H-quinolizin-6-one
CID 91904477
2-ethoxy-1-{[4-(2-fluorophenyl)piperazino]carbonyl}-6,7,8,9-tetrahydro-4H-quinolizin-4-one
CID 91904479
8-Ethoxy-N-(3-fluorophenyl)-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904485
8-Ethoxy-N-(2-fluorophenyl)-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904486
8-Ethoxy-N-(4-fluorophenyl)-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904487
8-Ethoxy-6-oxo-N-[4-(trifluoromethyl)phenyl]-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904488

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (CID 91904498) is N-(4-bromo-2-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is CCOc1cc(=O)n2c(c1C(=O)Nc1ccc(Br)cc1F)CCCC2.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The InChIKey is OALVOBYJJURTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O3/c1-2-25-15-10-16(23)22-8-4-3-5-14(22)17(15)18(24)21-13-7-6-11(19)9-12(13)20/h6-7,9-10H,2-5,8H2,1H3,(H,21,24).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
N-(4-bromo-2-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide has a molecular weight of 409.26 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is sourced from PubChem (CID 91904498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).