methyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate

C16H13NO3S — CID 164676976

IUPACmethyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2cccs2)nc2ccc(OC)cc12
InChIInChI=1S/C16H13NO3S/c1-19-10-5-6-13-11(8-10)12(16(18)20-2)9-14(17-13)15-4-3-7-21-15/h3-9H,1-2H3
InChIKeyGYICSEYRGXNABP-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.76
Rot. Bonds3

About methyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate

methyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate (PubChem CID 164676976) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is methyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate
PubChem CID164676976
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC Namemethyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2cccs2)nc2ccc(OC)cc12
InChIInChI=1S/C16H13NO3S/c1-19-10-5-6-13-11(8-10)12(16(18)20-2)9-14(17-13)15-4-3-7-21-15/h3-9H,1-2H3
InChIKeyGYICSEYRGXNABP-UHFFFAOYSA-N
XLogP3.76
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 998090
[(1S)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 126187868
6-ethyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 860396
methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 1261711
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 23766266
N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 15988959
N'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 31835498
(1-methoxy-1-oxopropan-2-yl) 2-thiophen-2-ylquinoline-4-carboxylate
CID 42915242
6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 86004329
6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 625807
6-iodo-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 1016749
dimethyl 2-[[2-(2-thiophen-2-ylquinoline-4-carbonyl)oxyacetyl]amino]benzene-1,4-dicarboxylate
CID 2353495

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate?
The IUPAC name of methyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate (CID 164676976) is methyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate.
What is the SMILES notation for methyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate?
The canonical SMILES for methyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate is COC(=O)c1cc(-c2cccs2)nc2ccc(OC)cc12.
What is the InChIKey of methyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate?
The InChIKey is GYICSEYRGXNABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c1-19-10-5-6-13-11(8-10)12(16(18)20-2)9-14(17-13)15-4-3-7-21-15/h3-9H,1-2H3.
What are the key properties of methyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate?
methyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate has a molecular weight of 299.35 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-2-thiophen-2-ylquinoline-4-carboxylate is sourced from PubChem (CID 164676976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).