methyl 3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate

C18H15NO4 — CID 101390066

IUPACmethyl 3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)cc2)c(=O)n2ccccc12
InChIInChI=1S/C18H15NO4/c1-22-13-8-6-12(7-9-13)14-11-15(18(21)23-2)16-5-3-4-10-19(16)17(14)20/h3-11H,1-2H3
InChIKeyXTDFDJVQJUMVBS-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.76
Rot. Bonds3

About methyl 3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate

methyl 3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate (PubChem CID 101390066) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is methyl 3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate
PubChem CID101390066
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Namemethyl 3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)cc2)c(=O)n2ccccc12
InChIInChI=1S/C18H15NO4/c1-22-13-8-6-12(7-9-13)14-11-15(18(21)23-2)16-5-3-4-10-19(16)17(14)20/h3-11H,1-2H3
InChIKeyXTDFDJVQJUMVBS-UHFFFAOYSA-N
XLogP2.76
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-chloroindolizine-1-carboxylate
CID 102287159
methyl 7-oxo-8-(4-phenylphenyl)thieno[2,3-a]quinolizine-10-carboxylate
CID 19353618
methyl 3-(4-methylbenzoyl)indolizine-1-carboxylate
CID 51056212
ethyl 2-hydroxy-3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate
CID 102058257
ethyl 4-[3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]butanoate
CID 13180335
methyl 2-amino-3-(4-methoxyphenyl)benzoate
CID 171919931
(4-methoxyphenyl)-[1-[4-(trifluoromethyl)phenyl]indolizin-3-yl]methanone
CID 170222374
3-(4-methoxybenzoyl)-N-phenylindolizine-1-carboxamide
CID 132502558
methyl 4-[6-(4-methoxyphenyl)indolizin-8-yl]benzoate
CID 71559881
dimethyl 4-(4-methoxyphenyl)benzene-1,2-dicarboxylate
CID 135017986
methyl 5-chloro-2-(4-methoxyphenyl)indolizine-1-carboxylate
CID 101440255
ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate
CID 621106

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate?
The IUPAC name of methyl 3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate (CID 101390066) is methyl 3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate.
What is the SMILES notation for methyl 3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate?
The canonical SMILES for methyl 3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate is COC(=O)c1cc(-c2ccc(OC)cc2)c(=O)n2ccccc12.
What is the InChIKey of methyl 3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate?
The InChIKey is XTDFDJVQJUMVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-22-13-8-6-12(7-9-13)14-11-15(18(21)23-2)16-5-3-4-10-19(16)17(14)20/h3-11H,1-2H3.
What are the key properties of methyl 3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate?
methyl 3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methoxyphenyl)-4-oxoquinolizine-1-carboxylate is sourced from PubChem (CID 101390066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).