(2-methoxyphenyl) 6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate

C23H19NO3S — CID 19648279

IUPAC(2-methoxyphenyl) 6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate
SMILESCOc1ccccc1OC(=O)c1cc(-c2cccs2)nc2c(C)cc(C)cc12
InChIInChI=1S/C23H19NO3S/c1-14-11-15(2)22-16(12-14)17(13-18(24-22)21-9-6-10-28-21)23(25)27-20-8-5-4-7-19(20)26-3/h4-13H,1-3H3
InChIKeyIJELHDKZLHOURI-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.81
Rot. Bonds4

About (2-methoxyphenyl) 6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate

(2-methoxyphenyl) 6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate (PubChem CID 19648279) has the molecular formula C23H19NO3S and a molecular weight of 389.48 g/mol. Its IUPAC name is (2-methoxyphenyl) 6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name(2-methoxyphenyl) 6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate
PubChem CID19648279
Molecular FormulaC23H19NO3S
Molecular Weight389.48 g/mol
Exact Mass389.11
IUPAC Name(2-methoxyphenyl) 6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate
SMILESCOc1ccccc1OC(=O)c1cc(-c2cccs2)nc2c(C)cc(C)cc12
InChIInChI=1S/C23H19NO3S/c1-14-11-15(2)22-16(12-14)17(13-18(24-22)21-9-6-10-28-21)23(25)27-20-8-5-4-7-19(20)26-3/h4-13H,1-3H3
InChIKeyIJELHDKZLHOURI-UHFFFAOYSA-N
XLogP5.81
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 19647725
6,8-dimethyl-N-(2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 19647714
N-(4-fluorophenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 19647708
6,8-dimethyl-N-naphthalen-1-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 17260002
(2-chlorophenyl) 2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648166
quinolin-8-yl 6,8-dimethyl-2-phenylquinoline-4-carboxylate
CID 19648116
(2-butan-2-ylphenyl) 2-(4-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648224
(4-methoxyphenyl) 2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxylate
CID 17261073
quinolin-8-yl 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648243
pentyl 4-[(6,8-dimethyl-2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 19647693
(4-phenylphenyl) 6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
CID 19648246
N-(4-bromo-3-chloro-2-methylphenyl)-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 19647736

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate?
The IUPAC name of (2-methoxyphenyl) 6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate (CID 19648279) is (2-methoxyphenyl) 6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate.
What is the SMILES notation for (2-methoxyphenyl) 6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate?
The canonical SMILES for (2-methoxyphenyl) 6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate is COc1ccccc1OC(=O)c1cc(-c2cccs2)nc2c(C)cc(C)cc12.
What is the InChIKey of (2-methoxyphenyl) 6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate?
The InChIKey is IJELHDKZLHOURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3S/c1-14-11-15(2)22-16(12-14)17(13-18(24-22)21-9-6-10-28-21)23(25)27-20-8-5-4-7-19(20)26-3/h4-13H,1-3H3.
What are the key properties of (2-methoxyphenyl) 6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate?
(2-methoxyphenyl) 6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate has a molecular weight of 389.48 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate is sourced from PubChem (CID 19648279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).