N-(2,5-dimethoxyphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide

C21H18N2O3S — CID 15990436

IUPACN-(2,5-dimethoxyphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc3cc4ccc(C)cc4nc3s2)c1
InChIInChI=1S/C21H18N2O3S/c1-12-4-5-13-9-14-10-19(27-21(14)23-16(13)8-12)20(24)22-17-11-15(25-2)6-7-18(17)26-3/h4-11H,1-3H3,(H,22,24)
InChIKeyDGQIEHGFGKICLR-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.03
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide

N-(2,5-dimethoxyphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide (PubChem CID 15990436) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide
PubChem CID15990436
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC NameN-(2,5-dimethoxyphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc3cc4ccc(C)cc4nc3s2)c1
InChIInChI=1S/C21H18N2O3S/c1-12-4-5-13-9-14-10-19(27-21(14)23-16(13)8-12)20(24)22-17-11-15(25-2)6-7-18(17)26-3/h4-11H,1-3H3,(H,22,24)
InChIKeyDGQIEHGFGKICLR-UHFFFAOYSA-N
XLogP5.03
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-7-methylfuro[2,3-b]quinoline-2-carboxamide
CID 15995839
N-(3,5-dimethoxyphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
CID 20966485
3-amino-7-ethoxy-N-(2-methoxy-5-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide
CID 1146714
N-(2,5-dimethoxyphenyl)-1-benzothiophene-2-carboxamide
CID 27844583
3-amino-N-(2,5-dimethoxyphenyl)-6,7-dimethylthieno[2,3-b]quinoline-2-carboxamide
CID 43812053
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
7-methylthieno[2,3-b]quinoline-2-carboxylate
CID 4126375
6-methoxy-N-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide
CID 5189392
N-(5-chloro-2-methoxyphenyl)-N,7-dimethylthieno[2,3-b]quinoline-2-carboxamide
CID 15998138
N-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 2348568
ethyl 7-methylthieno[2,3-b]quinoline-2-carboxylate
CID 778240
N-(2-methoxy-5-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110860261

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide (CID 15990436) is N-(2,5-dimethoxyphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide is COc1ccc(OC)c(NC(=O)c2cc3cc4ccc(C)cc4nc3s2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is DGQIEHGFGKICLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-12-4-5-13-9-14-10-19(27-21(14)23-16(13)8-12)20(24)22-17-11-15(25-2)6-7-18(17)26-3/h4-11H,1-3H3,(H,22,24).
What are the key properties of N-(2,5-dimethoxyphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide?
N-(2,5-dimethoxyphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 15990436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).