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

C17H16BrFN2O3 — CID 91904434

IUPACN-(4-bromo-2-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)Nc1ccc(Br)cc1F)CCCC2
InChIInChI=1S/C17H16BrFN2O3/c1-24-14-9-15(22)21-7-3-2-4-13(21)16(14)17(23)20-12-6-5-10(18)8-11(12)19/h5-6,8-9H,2-4,7H2,1H3,(H,20,23)
InChIKeyNTSITSQJHXDCDJ-UHFFFAOYSA-N
MW395.23 g/mol
LogP3.35
Rot. Bonds3

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

N-(4-bromo-2-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (PubChem CID 91904434) has the molecular formula C17H16BrFN2O3 and a molecular weight of 395.23 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
PubChem CID91904434
Molecular FormulaC17H16BrFN2O3
Molecular Weight395.23 g/mol
Exact Mass394.03
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)Nc1ccc(Br)cc1F)CCCC2
InChIInChI=1S/C17H16BrFN2O3/c1-24-14-9-15(22)21-7-3-2-4-13(21)16(14)17(23)20-12-6-5-10(18)8-11(12)19/h5-6,8-9H,2-4,7H2,1H3,(H,20,23)
InChIKeyNTSITSQJHXDCDJ-UHFFFAOYSA-N
XLogP3.35
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.23
LogP ≤ 53.35
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-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-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
N-(4-Bromo-2-fluorophenyl)-8-ethoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904498
8-Ethoxy-N-(3-fluoro-4-methylphenyl)-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904500
8-Ethoxy-N-(5-fluoro-2-methylphenyl)-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904504
N-(3,5-Difluorophenyl)-8-ethoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904529

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (CID 91904434) is N-(4-bromo-2-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is COc1cc(=O)n2c(c1C(=O)Nc1ccc(Br)cc1F)CCCC2.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The InChIKey is NTSITSQJHXDCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O3/c1-24-14-9-15(22)21-7-3-2-4-13(21)16(14)17(23)20-12-6-5-10(18)8-11(12)19/h5-6,8-9H,2-4,7H2,1H3,(H,20,23).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
N-(4-bromo-2-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide has a molecular weight of 395.23 g/mol, XLogP of 3.35, 3 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-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is sourced from PubChem (CID 91904434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).