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

C18H18F2N2O3 — CID 91914310

IUPACN-(2,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCCOc1cc(=O)n2c(c1C(=O)Nc1cc(F)ccc1F)CCCC2
InChIInChI=1S/C18H18F2N2O3/c1-2-25-15-10-16(23)22-8-4-3-5-14(22)17(15)18(24)21-13-9-11(19)6-7-12(13)20/h6-7,9-10H,2-5,8H2,1H3,(H,21,24)
InChIKeySODCSSIVEWTZHQ-UHFFFAOYSA-N
MW348.35 g/mol
LogP3.11
Rot. Bonds4

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

N-(2,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (PubChem CID 91914310) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
PubChem CID91914310
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC NameN-(2,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCCOc1cc(=O)n2c(c1C(=O)Nc1cc(F)ccc1F)CCCC2
InChIInChI=1S/C18H18F2N2O3/c1-2-25-15-10-16(23)22-8-4-3-5-14(22)17(15)18(24)21-13-9-11(19)6-7-12(13)20/h6-7,9-10H,2-5,8H2,1H3,(H,21,24)
InChIKeySODCSSIVEWTZHQ-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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Related Compounds

N-(2,5-difluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91914282
N-(5-chloro-2-methylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91904505
N-(3-chlorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91904502
7-ethoxy-N-(4-methylphenyl)-5-oxo-2,3-dihydro-1H-indolizine-8-carboxamide
CID 51364640
N-(4-chloro-3-methylphenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91914319
2-ethoxy-4-oxo-N-(3-propan-2-ylphenyl)-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91904530
2-ethoxy-4-oxo-N-(3-piperidin-1-ylpropyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide
CID 91914328
N-(3-chloro-4-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91904418
2-ethoxy-1-(4-methylpiperazine-1-carbonyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
CID 91914250
(4-methylphenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate
CID 53338058
N-(3,4-dimethoxyphenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91904425
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-ethoxy-6,7,8,9-tetrahydroquinolizin-4-one
CID 91914312

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (CID 91914310) is N-(2,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is CCOc1cc(=O)n2c(c1C(=O)Nc1cc(F)ccc1F)CCCC2.
What is the InChIKey of N-(2,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The InChIKey is SODCSSIVEWTZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-2-25-15-10-16(23)22-8-4-3-5-14(22)17(15)18(24)21-13-9-11(19)6-7-12(13)20/h6-7,9-10H,2-5,8H2,1H3,(H,21,24).
What are the key properties of N-(2,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
N-(2,5-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-(2,5-difluorophenyl)-2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is sourced from PubChem (CID 91914310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).