N-(2-chloro-4-methylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide

C20H15ClN2OS — CID 20966408

IUPACN-(2-chloro-4-methylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3cc4cc(C)ccc4nc3s2)c(Cl)c1
InChIInChI=1S/C20H15ClN2OS/c1-11-3-5-16-13(7-11)9-14-10-18(25-20(14)23-16)19(24)22-17-6-4-12(2)8-15(17)21/h3-10H,1-2H3,(H,22,24)
InChIKeyDVFLPQUHTFSLNI-UHFFFAOYSA-N
MW366.87 g/mol
LogP5.97
Rot. Bonds2

About N-(2-chloro-4-methylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide

N-(2-chloro-4-methylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide (PubChem CID 20966408) has the molecular formula C20H15ClN2OS and a molecular weight of 366.87 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
PubChem CID20966408
Molecular FormulaC20H15ClN2OS
Molecular Weight366.87 g/mol
Exact Mass366.06
IUPAC NameN-(2-chloro-4-methylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3cc4cc(C)ccc4nc3s2)c(Cl)c1
InChIInChI=1S/C20H15ClN2OS/c1-11-3-5-16-13(7-11)9-14-10-18(25-20(14)23-16)19(24)22-17-6-4-12(2)8-15(17)21/h3-10H,1-2H3,(H,22,24)
InChIKeyDVFLPQUHTFSLNI-UHFFFAOYSA-N
XLogP5.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.87
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
CID 20966315
6-methyl-N-(3-methyl-2-pyridinyl)thieno[2,3-b]quinoline-2-carboxamide
CID 20966429
N-(4-bromo-2-chlorophenyl)-2,6-dimethylquinoline-3-carboxamide
CID 24562991
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224
6-methoxy-N-(5-methyl-1,2-oxazol-3-yl)thieno[2,3-b]quinoline-2-carboxamide
CID 5189392
N-(2-chloro-4-methylphenyl)-2-methylbenzamide
CID 2540447
4-amino-3,5-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 82832914
N-(2-chloro-4-methylphenyl)-2,4-dimethylbenzamide
CID 2557643
7-methylthieno[2,3-b]quinoline-2-carboxylate
CID 4126375
N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31509073
7-methyl-N-(3-methylbutyl)thieno[2,3-b]quinoline-2-carboxamide
CID 3628117
N-(2-chloro-4-iodophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 47183189

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide (CID 20966408) is N-(2-chloro-4-methylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide is Cc1ccc(NC(=O)c2cc3cc4cc(C)ccc4nc3s2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is DVFLPQUHTFSLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2OS/c1-11-3-5-16-13(7-11)9-14-10-18(25-20(14)23-16)19(24)22-17-6-4-12(2)8-15(17)21/h3-10H,1-2H3,(H,22,24).
What are the key properties of N-(2-chloro-4-methylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide?
N-(2-chloro-4-methylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 366.87 g/mol, XLogP of 5.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 20966408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).