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

C19H21FN2O3 — CID 91904504

IUPAC2-ethoxy-N-(5-fluoro-2-methylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCCOc1cc(=O)n2c(c1C(=O)Nc1cc(F)ccc1C)CCCC2
InChIInChI=1S/C19H21FN2O3/c1-3-25-16-11-17(23)22-9-5-4-6-15(22)18(16)19(24)21-14-10-13(20)8-7-12(14)2/h7-8,10-11H,3-6,9H2,1-2H3,(H,21,24)
InChIKeyUBBHHFMSUVZYJA-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.28
Rot. Bonds4

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

2-ethoxy-N-(5-fluoro-2-methylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (PubChem CID 91904504) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-ethoxy-N-(5-fluoro-2-methylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(5-fluoro-2-methylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
PubChem CID91904504
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name2-ethoxy-N-(5-fluoro-2-methylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
SMILESCCOc1cc(=O)n2c(c1C(=O)Nc1cc(F)ccc1C)CCCC2
InChIInChI=1S/C19H21FN2O3/c1-3-25-16-11-17(23)22-9-5-4-6-15(22)18(16)19(24)21-14-10-13(20)8-7-12(14)2/h7-8,10-11H,3-6,9H2,1-2H3,(H,21,24)
InChIKeyUBBHHFMSUVZYJA-UHFFFAOYSA-N
XLogP3.28
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-N-(5-fluoro-2-methylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide with MolForge

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Related Compounds

Methyl 4-amino-1-octyl-2-oxoquinoline-3-carboxylate
CID 1952833
N-(4-fluorophenyl)-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide
CID 16008124
Ethyl 4-(hexylamino)-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 658207
Ethyl 2-oxo-4-(pentylamino)-1,2-dihydroquinoline-3-carboxylate
CID 658249
Ethyl 2-oxo-4-(piperidin-1-yl)-1,2-dihydroquinoline-3-carboxylate
CID 913206
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
CID 5308806
Ethyl 4-(butylamino)-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 652591
Ethyl 4-{[2-(dimethylamino)ethyl]amino}-2-hydroxyquinoline-3-carboxylate
CID 913126
Methyl 4-amino-1-heptyl-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 1607557
Ethyl 1-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxoquinoline-3-carboxylate
CID 71179644
8-acetyl-3-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 16020498
2-Ethoxy-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4H,6H,7H,8H,9H,10H-pyrido[1,2-A]azepin-4-one
CID 53338068

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(5-fluoro-2-methylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The IUPAC name of 2-ethoxy-N-(5-fluoro-2-methylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide (CID 91904504) is 2-ethoxy-N-(5-fluoro-2-methylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(5-fluoro-2-methylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-(5-fluoro-2-methylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is CCOc1cc(=O)n2c(c1C(=O)Nc1cc(F)ccc1C)CCCC2.
What is the InChIKey of 2-ethoxy-N-(5-fluoro-2-methylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
The InChIKey is UBBHHFMSUVZYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-3-25-16-11-17(23)22-9-5-4-6-15(22)18(16)19(24)21-14-10-13(20)8-7-12(14)2/h7-8,10-11H,3-6,9H2,1-2H3,(H,21,24).
What are the key properties of 2-ethoxy-N-(5-fluoro-2-methylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide?
2-ethoxy-N-(5-fluoro-2-methylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(5-fluoro-2-methylphenyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide is sourced from PubChem (CID 91904504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).