N-(3,5-dimethoxyphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide

C21H18N2O3S — CID 20966485

IUPACN-(3,5-dimethoxyphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc3cc4cc(C)ccc4nc3s2)cc(OC)c1
InChIInChI=1S/C21H18N2O3S/c1-12-4-5-18-13(6-12)7-14-8-19(27-21(14)23-18)20(24)22-15-9-16(25-2)11-17(10-15)26-3/h4-11H,1-3H3,(H,22,24)
InChIKeyNSGJUENFRWKPKF-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.03
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide

N-(3,5-dimethoxyphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide (PubChem CID 20966485) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
PubChem CID20966485
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC NameN-(3,5-dimethoxyphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc3cc4cc(C)ccc4nc3s2)cc(OC)c1
InChIInChI=1S/C21H18N2O3S/c1-12-4-5-18-13(6-12)7-14-8-19(27-21(14)23-18)20(24)22-15-9-16(25-2)11-17(10-15)26-3/h4-11H,1-3H3,(H,22,24)
InChIKeyNSGJUENFRWKPKF-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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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide (CID 20966485) is N-(3,5-dimethoxyphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide is COc1cc(NC(=O)c2cc3cc4cc(C)ccc4nc3s2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is NSGJUENFRWKPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-12-4-5-18-13(6-12)7-14-8-19(27-21(14)23-18)20(24)22-15-9-16(25-2)11-17(10-15)26-3/h4-11H,1-3H3,(H,22,24).
What are the key properties of N-(3,5-dimethoxyphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide?
N-(3,5-dimethoxyphenyl)-6-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-(3,5-dimethoxyphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 20966485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).