methyl 3-(4-ethoxyphenyl)thieno[3,2-c]quinoline-2-carboxylate

C21H17NO3S — CID 97032780

IUPACmethyl 3-(4-ethoxyphenyl)thieno[3,2-c]quinoline-2-carboxylate
SMILESCCOc1ccc(-c2c(C(=O)OC)sc3c2cnc2ccccc23)cc1
InChIInChI=1S/C21H17NO3S/c1-3-25-14-10-8-13(9-11-14)18-16-12-22-17-7-5-4-6-15(17)19(16)26-20(18)21(23)24-2/h4-12H,3H2,1-2H3
InChIKeyJCIPCQYBUMJDOA-UHFFFAOYSA-N
MW363.44 g/mol
LogP5.30
Rot. Bonds4

About methyl 3-(4-ethoxyphenyl)thieno[3,2-c]quinoline-2-carboxylate

methyl 3-(4-ethoxyphenyl)thieno[3,2-c]quinoline-2-carboxylate (PubChem CID 97032780) has the molecular formula C21H17NO3S and a molecular weight of 363.44 g/mol. Its IUPAC name is methyl 3-(4-ethoxyphenyl)thieno[3,2-c]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-ethoxyphenyl)thieno[3,2-c]quinoline-2-carboxylate
PubChem CID97032780
Molecular FormulaC21H17NO3S
Molecular Weight363.44 g/mol
Exact Mass363.09
IUPAC Namemethyl 3-(4-ethoxyphenyl)thieno[3,2-c]quinoline-2-carboxylate
SMILESCCOc1ccc(-c2c(C(=O)OC)sc3c2cnc2ccccc23)cc1
InChIInChI=1S/C21H17NO3S/c1-3-25-14-10-8-13(9-11-14)18-16-12-22-17-7-5-4-6-15(17)19(16)26-20(18)21(23)24-2/h4-12H,3H2,1-2H3
InChIKeyJCIPCQYBUMJDOA-UHFFFAOYSA-N
XLogP5.30
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.44
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-N-(2-hydroxypropyl)thieno[3,2-c]quinoline-2-carboxamide
CID 50776757
8-methoxy-N-(2-methoxyethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 27375633
9-(4-ethoxyphenyl)acridine
CID 18966036
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 50776637
13-(4-ethoxyphenyl)-15-thia-8,12,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,13,16-heptaen-11-one
CID 23880567
3-(4-ethylphenyl)-8-fluoro-N-(3-methoxypropyl)thieno[3,2-c]quinoline-2-carboxamide
CID 50776760
7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine
CID 59182915
4-(4-ethoxyphenyl)-1H-pyrimido[5,4-c]quinoline-2-thione
CID 97032778
methyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate
CID 865502
2-(4-ethoxyphenyl)-4-methyl-N-quinolin-3-yl-1,3-thiazole-5-carboxamide
CID 39117598
dimethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 1291458
3-(3,4-dimethylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide
CID 50776641

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-ethoxyphenyl)thieno[3,2-c]quinoline-2-carboxylate?
The IUPAC name of methyl 3-(4-ethoxyphenyl)thieno[3,2-c]quinoline-2-carboxylate (CID 97032780) is methyl 3-(4-ethoxyphenyl)thieno[3,2-c]quinoline-2-carboxylate.
What is the SMILES notation for methyl 3-(4-ethoxyphenyl)thieno[3,2-c]quinoline-2-carboxylate?
The canonical SMILES for methyl 3-(4-ethoxyphenyl)thieno[3,2-c]quinoline-2-carboxylate is CCOc1ccc(-c2c(C(=O)OC)sc3c2cnc2ccccc23)cc1.
What is the InChIKey of methyl 3-(4-ethoxyphenyl)thieno[3,2-c]quinoline-2-carboxylate?
The InChIKey is JCIPCQYBUMJDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3S/c1-3-25-14-10-8-13(9-11-14)18-16-12-22-17-7-5-4-6-15(17)19(16)26-20(18)21(23)24-2/h4-12H,3H2,1-2H3.
What are the key properties of methyl 3-(4-ethoxyphenyl)thieno[3,2-c]quinoline-2-carboxylate?
methyl 3-(4-ethoxyphenyl)thieno[3,2-c]quinoline-2-carboxylate has a molecular weight of 363.44 g/mol, XLogP of 5.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-ethoxyphenyl)thieno[3,2-c]quinoline-2-carboxylate is sourced from PubChem (CID 97032780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).