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

C18H17F3N2O3 — CID 91904422

IUPAC2-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)Nc1ccc(C(F)(F)F)cc1)CCCC2
InChIInChI=1S/C18H17F3N2O3/c1-26-14-10-15(24)23-9-3-2-4-13(23)16(14)17(25)22-12-7-5-11(6-8-12)18(19,20)21/h5-8,10H,2-4,9H2,1H3,(H,22,25)
InChIKeyKBFMCNAMAXRIKI-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.46
Rot. Bonds3

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

2-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydroquinolizine-1-carboxamide (PubChem CID 91904422) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydroquinolizine-1-carboxamide.

Molecular Properties

Compound Name2-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydroquinolizine-1-carboxamide
PubChem CID91904422
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name2-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)Nc1ccc(C(F)(F)F)cc1)CCCC2
InChIInChI=1S/C18H17F3N2O3/c1-26-14-10-15(24)23-9-3-2-4-13(23)16(14)17(25)22-12-7-5-11(6-8-12)18(19,20)21/h5-8,10H,2-4,9H2,1H3,(H,22,25)
InChIKeyKBFMCNAMAXRIKI-UHFFFAOYSA-N
XLogP3.46
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The IUPAC name of 2-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydroquinolizine-1-carboxamide (CID 91904422) is 2-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydroquinolizine-1-carboxamide.
What is the SMILES notation for 2-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The canonical SMILES for 2-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydroquinolizine-1-carboxamide is COc1cc(=O)n2c(c1C(=O)Nc1ccc(C(F)(F)F)cc1)CCCC2.
What is the InChIKey of 2-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The InChIKey is KBFMCNAMAXRIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-26-14-10-15(24)23-9-3-2-4-13(23)16(14)17(25)22-12-7-5-11(6-8-12)18(19,20)21/h5-8,10H,2-4,9H2,1H3,(H,22,25).
What are the key properties of 2-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
2-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydroquinolizine-1-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-oxo-N-[4-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydroquinolizine-1-carboxamide is sourced from PubChem (CID 91904422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).