6,7-dimethoxy-2-thiophen-3-ylquinoline-4-carboxylic acid

C16H13NO4S — CID 18073660

IUPAC6,7-dimethoxy-2-thiophen-3-ylquinoline-4-carboxylic acid
SMILESCOc1cc2nc(-c3ccsc3)cc(C(=O)O)c2cc1OC
InChIInChI=1S/C16H13NO4S/c1-20-14-6-10-11(16(18)19)5-12(9-3-4-22-8-9)17-13(10)7-15(14)21-2/h3-8H,1-2H3,(H,18,19)
InChIKeyRVTBCWWISMRTLK-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.68
Rot. Bonds4

About 6,7-dimethoxy-2-thiophen-3-ylquinoline-4-carboxylic acid

6,7-dimethoxy-2-thiophen-3-ylquinoline-4-carboxylic acid (PubChem CID 18073660) has the molecular formula C16H13NO4S and a molecular weight of 315.35 g/mol. Its IUPAC name is 6,7-dimethoxy-2-thiophen-3-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6,7-dimethoxy-2-thiophen-3-ylquinoline-4-carboxylic acid
PubChem CID18073660
Molecular FormulaC16H13NO4S
Molecular Weight315.35 g/mol
Exact Mass315.06
IUPAC Name6,7-dimethoxy-2-thiophen-3-ylquinoline-4-carboxylic acid
SMILESCOc1cc2nc(-c3ccsc3)cc(C(=O)O)c2cc1OC
InChIInChI=1S/C16H13NO4S/c1-20-14-6-10-11(16(18)19)5-12(9-3-4-22-8-9)17-13(10)7-15(14)21-2/h3-8H,1-2H3,(H,18,19)
InChIKeyRVTBCWWISMRTLK-UHFFFAOYSA-N
XLogP3.68
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 18073657
6,7-difluoro-2-thiophen-3-ylquinoline-4-carboxylic acid
CID 80746977
2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 18073642
2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 134913947
8-thiophen-3-yl-3,4-dihydro-2H-[1,4]dioxepino[2,3-g]quinoline-10-carboxylic acid
CID 18073747
5,7-difluoro-2-thiophen-3-ylquinoline-4-carboxylic acid
CID 62090461
2-(dimethylamino)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 84642221
7,8-dichloro-2-thiophen-3-ylquinoline-4-carboxylic acid
CID 63462654
6-(3-hydroxypropyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylic acid
CID 69111148
1-[4-(2-thiophen-3-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 42749505
2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3492969
6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid
CID 3321960

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-thiophen-3-ylquinoline-4-carboxylic acid?
The IUPAC name of 6,7-dimethoxy-2-thiophen-3-ylquinoline-4-carboxylic acid (CID 18073660) is 6,7-dimethoxy-2-thiophen-3-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6,7-dimethoxy-2-thiophen-3-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6,7-dimethoxy-2-thiophen-3-ylquinoline-4-carboxylic acid is COc1cc2nc(-c3ccsc3)cc(C(=O)O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-thiophen-3-ylquinoline-4-carboxylic acid?
The InChIKey is RVTBCWWISMRTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4S/c1-20-14-6-10-11(16(18)19)5-12(9-3-4-22-8-9)17-13(10)7-15(14)21-2/h3-8H,1-2H3,(H,18,19).
What are the key properties of 6,7-dimethoxy-2-thiophen-3-ylquinoline-4-carboxylic acid?
6,7-dimethoxy-2-thiophen-3-ylquinoline-4-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-thiophen-3-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 18073660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).