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

C19H13ClN2OS — CID 20966315

IUPACN-(3-chlorophenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc2nc3sc(C(=O)Nc4cccc(Cl)c4)cc3cc2c1
InChIInChI=1S/C19H13ClN2OS/c1-11-5-6-16-12(7-11)8-13-9-17(24-19(13)22-16)18(23)21-15-4-2-3-14(20)10-15/h2-10H,1H3,(H,21,23)
InChIKeyPRERIPXGVHMRNX-UHFFFAOYSA-N
MW352.85 g/mol
LogP5.66
Rot. Bonds2

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

N-(3-chlorophenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide (PubChem CID 20966315) has the molecular formula C19H13ClN2OS and a molecular weight of 352.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
PubChem CID20966315
Molecular FormulaC19H13ClN2OS
Molecular Weight352.85 g/mol
Exact Mass352.04
IUPAC NameN-(3-chlorophenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
SMILESCc1ccc2nc3sc(C(=O)Nc4cccc(Cl)c4)cc3cc2c1
InChIInChI=1S/C19H13ClN2OS/c1-11-5-6-16-12(7-11)8-13-9-17(24-19(13)22-16)18(23)21-15-4-2-3-14(20)10-15/h2-10H,1H3,(H,21,23)
InChIKeyPRERIPXGVHMRNX-UHFFFAOYSA-N
XLogP5.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.85
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]quinoline-2-carboxamide
CID 20966316
N-(3,5-dimethoxyphenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide
CID 20966485
6-methyl-N-(3-methyl-2-pyridinyl)thieno[2,3-b]quinoline-2-carboxamide
CID 20966429
N-(3-acetylphenyl)-4,7-dioxa-13-thia-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1(17),2,8,10,12(16),14-hexaene-14-carboxamide
CID 86763873
N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide
CID 4810608
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
N-(3-chlorophenyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109197509
6-chloro-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]quinoline-3-carboxamide
CID 46513513
N-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468182
2-N-(3-acetylphenyl)-6-N-(3-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109100836
N-(3-chlorophenyl)-3-methylquinoxaline-2-carboxamide
CID 110858888

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide (CID 20966315) is N-(3-chlorophenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide is Cc1ccc2nc3sc(C(=O)Nc4cccc(Cl)c4)cc3cc2c1.
What is the InChIKey of N-(3-chlorophenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is PRERIPXGVHMRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2OS/c1-11-5-6-16-12(7-11)8-13-9-17(24-19(13)22-16)18(23)21-15-4-2-3-14(20)10-15/h2-10H,1H3,(H,21,23).
What are the key properties of N-(3-chlorophenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide?
N-(3-chlorophenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 352.85 g/mol, XLogP of 5.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-methylthieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 20966315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).