N-(3,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide

C18H18F2N2O3 — CID 91904529

IUPACN-(3,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCCOc1cc(=O)n2c(c1C(=O)Nc1cc(F)cc(F)c1)CCCC2
InChIInChI=1S/C18H18F2N2O3/c1-2-25-15-10-16(23)22-6-4-3-5-14(22)17(15)18(24)21-13-8-11(19)7-12(20)9-13/h7-10H,2-6H2,1H3,(H,21,24)
InChIKeySGGQMAKZGHGTLI-UHFFFAOYSA-N
MW348.35 g/mol
LogP3.11
Rot. Bonds4

About N-(3,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide

N-(3,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (PubChem CID 91904529) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
PubChem CID91904529
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC NameN-(3,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCCOc1cc(=O)n2c(c1C(=O)Nc1cc(F)cc(F)c1)CCCC2
InChIInChI=1S/C18H18F2N2O3/c1-2-25-15-10-16(23)22-6-4-3-5-14(22)17(15)18(24)21-13-8-11(19)7-12(20)9-13/h7-10H,2-6H2,1H3,(H,21,24)
InChIKeySGGQMAKZGHGTLI-UHFFFAOYSA-N
XLogP3.11
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (CID 91904529) is N-(3,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is CCOc1cc(=O)n2c(c1C(=O)Nc1cc(F)cc(F)c1)CCCC2.
What is the InChIKey of N-(3,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The InChIKey is SGGQMAKZGHGTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-2-25-15-10-16(23)22-6-4-3-5-14(22)17(15)18(24)21-13-8-11(19)7-12(20)9-13/h7-10H,2-6H2,1H3,(H,21,24).
What are the key properties of N-(3,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
N-(3,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide has a molecular weight of 348.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is sourced from PubChem (CID 91904529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).