10-methoxy-9-methyl-2-oxo-6-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

C20H17NO4S — CID 122457183

IUPAC10-methoxy-9-methyl-2-oxo-6-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCOc1cc2c(cc1C)CC(c1cccs1)n1cc(C(=O)O)c(=O)cc1-2
InChIInChI=1S/C20H17NO4S/c1-11-6-12-7-16(19-4-3-5-26-19)21-10-14(20(23)24)17(22)9-15(21)13(12)8-18(11)25-2/h3-6,8-10,16H,7H2,1-2H3,(H,23,24)
InChIKeyZZFOTGGHVWBUOB-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.74
Rot. Bonds3

About 10-methoxy-9-methyl-2-oxo-6-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

10-methoxy-9-methyl-2-oxo-6-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (PubChem CID 122457183) has the molecular formula C20H17NO4S and a molecular weight of 367.43 g/mol. Its IUPAC name is 10-methoxy-9-methyl-2-oxo-6-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.

Molecular Properties

Compound Name10-methoxy-9-methyl-2-oxo-6-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
PubChem CID122457183
Molecular FormulaC20H17NO4S
Molecular Weight367.43 g/mol
Exact Mass367.09
IUPAC Name10-methoxy-9-methyl-2-oxo-6-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
SMILESCOc1cc2c(cc1C)CC(c1cccs1)n1cc(C(=O)O)c(=O)cc1-2
InChIInChI=1S/C20H17NO4S/c1-11-6-12-7-16(19-4-3-5-26-19)21-10-14(20(23)24)17(22)9-15(21)13(12)8-18(11)25-2/h3-6,8-10,16H,7H2,1-2H3,(H,23,24)
InChIKeyZZFOTGGHVWBUOB-UHFFFAOYSA-N
XLogP3.74
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 10-methoxy-9-methyl-2-oxo-6-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid with MolForge

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Related Compounds

9-(6-aminohexoxy)-10-methoxy-2-oxo-6-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;formic acid
CID 122457108
ethyl 10-methoxy-2-oxo-6-thiophen-2-yl-9-[3-(1,2,4-triazol-1-yl)propoxy]-6,7-dihydrobenzo[a]quinolizine-3-carboxylate
CID 122457326
10-methoxy-9-(3-methoxypropoxy)-2-oxo-6-phenyl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 122457146
9,10-dimethoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251739
9,10-dimethoxy-2-oxo-6-(trifluoromethyl)-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118252085
9,10-dimethoxy-6-(2-methylpropyl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251729
9-acetyl-2-methoxy-3-(3-methoxypropoxy)-6-thiophen-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-10-one
CID 158537283
(6R)-10-methoxy-9-(3-methoxypropoxy)-6-(1-methylcyclopropyl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;(6S)-10-methoxy-9-(3-methoxypropoxy)-6-(1-methylcyclopropyl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 161380551
(6R)-9-acetyl-6-(3-chlorothiophen-2-yl)-2-methoxy-3-(3-methoxypropoxy)-6H-pyrido[1,2-c][1,3]benzoxazin-10-one;(6S)-9-acetyl-6-(3-chlorothiophen-2-yl)-2-methoxy-3-(3-methoxypropoxy)-6H-pyrido[1,2-c][1,3]benzoxazin-10-one;(6R)-9-acetyl-2-methoxy-3-(3-methoxypropoxy)-6-thiophen-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-10-one;(6S)-9-acetyl-2-methoxy-3-(3-methoxypropoxy)-6-thiophen-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-10-one;(6R)-2-chloro-3-(3-methoxypropoxy)-6-(5-methylthiophen-2-yl)-10-oxo-6H-pyrido[1,2-c][1,3]benzoxazine-9-carboxylic acid;(6S)-2-chloro-3-(3-methoxypropoxy)-6-(5-methylthiophen-2-yl)-10-oxo-6H-pyrido[1,2-c][1,3]benzoxazine-9-carboxylic acid
CID 159051794
6-cyclobutyl-10-methoxy-9-(3-methoxypropoxy)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118251876
(6R)-6-tert-butyl-9-(6-hydroxyhexoxy)-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 118261849
(6S)-9-[2-(4-carboxyphenyl)ethoxy]-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
CID 170602223

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-9-methyl-2-oxo-6-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The IUPAC name of 10-methoxy-9-methyl-2-oxo-6-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid (CID 122457183) is 10-methoxy-9-methyl-2-oxo-6-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid.
What is the SMILES notation for 10-methoxy-9-methyl-2-oxo-6-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The canonical SMILES for 10-methoxy-9-methyl-2-oxo-6-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is COc1cc2c(cc1C)CC(c1cccs1)n1cc(C(=O)O)c(=O)cc1-2.
What is the InChIKey of 10-methoxy-9-methyl-2-oxo-6-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
The InChIKey is ZZFOTGGHVWBUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S/c1-11-6-12-7-16(19-4-3-5-26-19)21-10-14(20(23)24)17(22)9-15(21)13(12)8-18(11)25-2/h3-6,8-10,16H,7H2,1-2H3,(H,23,24).
What are the key properties of 10-methoxy-9-methyl-2-oxo-6-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid?
10-methoxy-9-methyl-2-oxo-6-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid has a molecular weight of 367.43 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-9-methyl-2-oxo-6-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid is sourced from PubChem (CID 122457183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).