3-chloro-N-(2-methylquinolin-8-yl)-1-benzothiophene-2-carboxamide

C19H13ClN2OS — CID 1012016

IUPAC3-chloro-N-(2-methylquinolin-8-yl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc2cccc(NC(=O)c3sc4ccccc4c3Cl)c2n1
InChIInChI=1S/C19H13ClN2OS/c1-11-9-10-12-5-4-7-14(17(12)21-11)22-19(23)18-16(20)13-6-2-3-8-15(13)24-18/h2-10H,1H3,(H,22,23)
InChIKeyPTRHJBXRPSYDGC-UHFFFAOYSA-N
MW352.85 g/mol
LogP5.66
Rot. Bonds2

About 3-chloro-N-(2-methylquinolin-8-yl)-1-benzothiophene-2-carboxamide

3-chloro-N-(2-methylquinolin-8-yl)-1-benzothiophene-2-carboxamide (PubChem CID 1012016) has the molecular formula C19H13ClN2OS and a molecular weight of 352.85 g/mol. Its IUPAC name is 3-chloro-N-(2-methylquinolin-8-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-methylquinolin-8-yl)-1-benzothiophene-2-carboxamide
PubChem CID1012016
Molecular FormulaC19H13ClN2OS
Molecular Weight352.85 g/mol
Exact Mass352.04
IUPAC Name3-chloro-N-(2-methylquinolin-8-yl)-1-benzothiophene-2-carboxamide
SMILESCc1ccc2cccc(NC(=O)c3sc4ccccc4c3Cl)c2n1
InChIInChI=1S/C19H13ClN2OS/c1-11-9-10-12-5-4-7-14(17(12)21-11)22-19(23)18-16(20)13-6-2-3-8-15(13)24-18/h2-10H,1H3,(H,22,23)
InChIKeyPTRHJBXRPSYDGC-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

3-chloro-N-phenanthren-1-yl-1-benzothiophene-2-carboxamide
CID 10000300
3-chloro-N-(2-methylquinolin-4-yl)-1-benzothiophene-2-carboxamide
CID 14906132
3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide
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N-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 606808
2-amino-4-methyl-N-(2-methylquinolin-8-yl)-1,3-thiazole-5-carboxamide
CID 62953947
3-chloro-N-(5-iodo-6-methyl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 2212200
3-chloro-N-(3-methylphenyl)-1-benzothiophene-2-carboxamide
CID 607033
3-chloro-N-[2-(dimethylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 4942446
3,6-dichloro-N-naphthalen-1-yl-1-benzothiophene-2-carboxamide
CID 3114628
2-hydroxy-N-(2-methylquinolin-8-yl)benzamide
CID 62954992
3-chloro-N-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 56763933
3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 1010573

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methylquinolin-8-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-methylquinolin-8-yl)-1-benzothiophene-2-carboxamide (CID 1012016) is 3-chloro-N-(2-methylquinolin-8-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-methylquinolin-8-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-methylquinolin-8-yl)-1-benzothiophene-2-carboxamide is Cc1ccc2cccc(NC(=O)c3sc4ccccc4c3Cl)c2n1.
What is the InChIKey of 3-chloro-N-(2-methylquinolin-8-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is PTRHJBXRPSYDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2OS/c1-11-9-10-12-5-4-7-14(17(12)21-11)22-19(23)18-16(20)13-6-2-3-8-15(13)24-18/h2-10H,1H3,(H,22,23).
What are the key properties of 3-chloro-N-(2-methylquinolin-8-yl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(2-methylquinolin-8-yl)-1-benzothiophene-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 3-chloro-N-(2-methylquinolin-8-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 1012016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).