3-chloro-N-(2-methylquinolin-4-yl)-1-benzothiophene-2-carboxamide

C19H13ClN2OS — CID 14906132

IUPAC3-chloro-N-(2-methylquinolin-4-yl)-1-benzothiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2sc3ccccc3c2Cl)c2ccccc2n1
InChIInChI=1S/C19H13ClN2OS/c1-11-10-15(12-6-2-4-8-14(12)21-11)22-19(23)18-17(20)13-7-3-5-9-16(13)24-18/h2-10H,1H3,(H,21,22,23)
InChIKeyKRQHKEQSGHORHK-UHFFFAOYSA-N
MW352.85 g/mol
LogP5.66
Rot. Bonds2

About 3-chloro-N-(2-methylquinolin-4-yl)-1-benzothiophene-2-carboxamide

3-chloro-N-(2-methylquinolin-4-yl)-1-benzothiophene-2-carboxamide (PubChem CID 14906132) has the molecular formula C19H13ClN2OS and a molecular weight of 352.85 g/mol. Its IUPAC name is 3-chloro-N-(2-methylquinolin-4-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-methylquinolin-4-yl)-1-benzothiophene-2-carboxamide
PubChem CID14906132
Molecular FormulaC19H13ClN2OS
Molecular Weight352.85 g/mol
Exact Mass352.04
IUPAC Name3-chloro-N-(2-methylquinolin-4-yl)-1-benzothiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2sc3ccccc3c2Cl)c2ccccc2n1
InChIInChI=1S/C19H13ClN2OS/c1-11-10-15(12-6-2-4-8-14(12)21-11)22-19(23)18-17(20)13-7-3-5-9-16(13)24-18/h2-10H,1H3,(H,21,22,23)
InChIKeyKRQHKEQSGHORHK-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-(2-methylquinolin-8-yl)-1-benzothiophene-2-carboxamide
CID 1012016
N-(3-benzamido-4-methylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 1348159
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
3-chloro-N-(2-methylquinolin-4-yl)benzamide
CID 4298030
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-(2,4,6-trimethylphenyl)-1-benzothiophene-2-carboxamide
CID 4203723
N-(2-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 606808
3-chloro-N-[2-(phenylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 1010573
3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide
CID 1117397
2-iodo-N-(2-methylquinolin-4-yl)benzamide
CID 60653788
3-chloro-N-phenanthren-1-yl-1-benzothiophene-2-carboxamide
CID 10000300

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methylquinolin-4-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-methylquinolin-4-yl)-1-benzothiophene-2-carboxamide (CID 14906132) is 3-chloro-N-(2-methylquinolin-4-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-methylquinolin-4-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-methylquinolin-4-yl)-1-benzothiophene-2-carboxamide is Cc1cc(NC(=O)c2sc3ccccc3c2Cl)c2ccccc2n1.
What is the InChIKey of 3-chloro-N-(2-methylquinolin-4-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is KRQHKEQSGHORHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2OS/c1-11-10-15(12-6-2-4-8-14(12)21-11)22-19(23)18-17(20)13-7-3-5-9-16(13)24-18/h2-10H,1H3,(H,21,22,23).
What are the key properties of 3-chloro-N-(2-methylquinolin-4-yl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(2-methylquinolin-4-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-4-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 14906132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).