N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide

C18H16ClF3N2O3 — CID 91904432

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)Nc1cc(C(F)(F)F)ccc1Cl)CCCC2
InChIInChI=1S/C18H16ClF3N2O3/c1-27-14-9-15(25)24-7-3-2-4-13(24)16(14)17(26)23-12-8-10(18(20,21)22)5-6-11(12)19/h5-6,8-9H,2-4,7H2,1H3,(H,23,26)
InChIKeyLRNBYHYKPOCQLG-UHFFFAOYSA-N
MW400.78 g/mol
LogP4.12
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (PubChem CID 91904432) has the molecular formula C18H16ClF3N2O3 and a molecular weight of 400.78 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
PubChem CID91904432
Molecular FormulaC18H16ClF3N2O3
Molecular Weight400.78 g/mol
Exact Mass400.08
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)Nc1cc(C(F)(F)F)ccc1Cl)CCCC2
InChIInChI=1S/C18H16ClF3N2O3/c1-27-14-9-15(25)24-7-3-2-4-13(24)16(14)17(26)23-12-8-10(18(20,21)22)5-6-11(12)19/h5-6,8-9H,2-4,7H2,1H3,(H,23,26)
InChIKeyLRNBYHYKPOCQLG-UHFFFAOYSA-N
XLogP4.12
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.78
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide with MolForge

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Related Compounds

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-(4-Chloro-3-fluorophenyl)-8-ethoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904537
N-(3-Chloro-4-fluorophenyl)-8-methoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904418
8-Methoxy-6-oxo-N-[4-(trifluoromethyl)phenyl]-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904422
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-(3-chloro-2-fluorophenyl)-8-methoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904465
N-(2-Chloro-5-fluorophenyl)-8-methoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904466

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (CID 91904432) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is COc1cc(=O)n2c(c1C(=O)Nc1cc(C(F)(F)F)ccc1Cl)CCCC2.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The InChIKey is LRNBYHYKPOCQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O3/c1-27-14-9-15(25)24-7-3-2-4-13(24)16(14)17(26)23-12-8-10(18(20,21)22)5-6-11(12)19/h5-6,8-9H,2-4,7H2,1H3,(H,23,26).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide has a molecular weight of 400.78 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is sourced from PubChem (CID 91904432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).