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

C17H16F2N2O3 — CID 91904440

IUPACN-(2,4-difluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)Nc1ccc(F)cc1F)CCCC2
InChIInChI=1S/C17H16F2N2O3/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)
InChIKeyGBJZPGHQSBXVIK-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.72
Rot. Bonds3

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

N-(2,4-difluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (PubChem CID 91904440) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
PubChem CID91904440
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC NameN-(2,4-difluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)Nc1ccc(F)cc1F)CCCC2
InChIInChI=1S/C17H16F2N2O3/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)
InChIKeyGBJZPGHQSBXVIK-UHFFFAOYSA-N
XLogP2.72
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,4-difluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide with MolForge

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Related Compounds

N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 3239311
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 3242718
2-ethoxy-1-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}-7,8,9,10-tetrahydropyrido[1,2-a]azepin-4(6H)-one
CID 53338068
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-fluorophenyl)methyl]-8-methoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91914255
N-[(2,4-Difluorophenyl)methyl]-8-ethoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91914301
2-Ethoxy-N-(4-fluoro-2-methylphenyl)-4-oxo-4H,6H,7H,8H,9H,10H-pyrido[1,2-A]azepine-1-carboxamide
CID 91914324
5-[4-(4-Fluoro-phenyl)-piperazine-1-carbonyl]-4,6-dimethyl-pyran-2-one
CID 950132

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (CID 91904440) is N-(2,4-difluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is COc1cc(=O)n2c(c1C(=O)Nc1ccc(F)cc1F)CCCC2.
What is the InChIKey of N-(2,4-difluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The InChIKey is GBJZPGHQSBXVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O3/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-(2,4-difluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
N-(2,4-difluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide has a molecular weight of 334.32 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is sourced from PubChem (CID 91904440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).