N-(5-chloro-2-methoxyphenyl)-N,7-dimethylthieno[2,3-b]quinoline-2-carboxamide

C21H17ClN2O2S — CID 15998138

IUPACN-(5-chloro-2-methoxyphenyl)-N,7-dimethylthieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc(Cl)cc1N(C)C(=O)c1cc2cc3ccc(C)cc3nc2s1
InChIInChI=1S/C21H17ClN2O2S/c1-12-4-5-13-9-14-10-19(27-20(14)23-16(13)8-12)21(25)24(2)17-11-15(22)6-7-18(17)26-3/h4-11H,1-3H3
InChIKeyMOTJUOLIOJGXJO-UHFFFAOYSA-N
MW396.90 g/mol
LogP5.70
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-N,7-dimethylthieno[2,3-b]quinoline-2-carboxamide

N-(5-chloro-2-methoxyphenyl)-N,7-dimethylthieno[2,3-b]quinoline-2-carboxamide (PubChem CID 15998138) has the molecular formula C21H17ClN2O2S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-N,7-dimethylthieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-N,7-dimethylthieno[2,3-b]quinoline-2-carboxamide
PubChem CID15998138
Molecular FormulaC21H17ClN2O2S
Molecular Weight396.90 g/mol
Exact Mass396.07
IUPAC NameN-(5-chloro-2-methoxyphenyl)-N,7-dimethylthieno[2,3-b]quinoline-2-carboxamide
SMILESCOc1ccc(Cl)cc1N(C)C(=O)c1cc2cc3ccc(C)cc3nc2s1
InChIInChI=1S/C21H17ClN2O2S/c1-12-4-5-13-9-14-10-19(27-20(14)23-16(13)8-12)21(25)24(2)17-11-15(22)6-7-18(17)26-3/h4-11H,1-3H3
InChIKeyMOTJUOLIOJGXJO-UHFFFAOYSA-N
XLogP5.70
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.90
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-methoxyphenyl)-N,7-dimethylthieno[2,3-b]quinoline-2-carboxamide with MolForge

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Related Compounds

N-(2,5-dimethoxyphenyl)-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 131841617
N-(2,5-dimethoxyphenyl)-7-methylthieno[2,3-b]quinoline-2-carboxamide
CID 15990436
ethyl 7-methylthieno[2,3-b]quinoline-2-carboxylate
CID 778240
N-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride
CID 115194462
4-chloro-N-(5-chloro-2-methylphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide
CID 46256939
4-chloro-N-(2,4-dimethoxyphenyl)-N,8-dimethylthieno[3,2-c]quinoline-2-carboxamide
CID 46256946
2-(2,5-dichlorophenoxy)-N-(2-methoxy-5-methylphenyl)-N-methylpyridine-3-carboxamide
CID 59294517
7-methyl-N-(3-methylbutyl)thieno[2,3-b]quinoline-2-carboxamide
CID 3628117
N-(5-chloro-2,4-dimethoxyphenyl)-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 20879952
N-[2-(cyclohexylamino)-2-oxoethyl]-7-methyl-N-(4-methylphenyl)thieno[2,3-b]quinoline-2-carboxamide
CID 3219087
7-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-b]quinoline-2-carboxamide
CID 3627109
N-(5-chloro-2-methoxyphenyl)-N-methyl-1-oxoisochromene-4-carboxamide
CID 4179677

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-N,7-dimethylthieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-N,7-dimethylthieno[2,3-b]quinoline-2-carboxamide (CID 15998138) is N-(5-chloro-2-methoxyphenyl)-N,7-dimethylthieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-N,7-dimethylthieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-N,7-dimethylthieno[2,3-b]quinoline-2-carboxamide is COc1ccc(Cl)cc1N(C)C(=O)c1cc2cc3ccc(C)cc3nc2s1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-N,7-dimethylthieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is MOTJUOLIOJGXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2S/c1-12-4-5-13-9-14-10-19(27-20(14)23-16(13)8-12)21(25)24(2)17-11-15(22)6-7-18(17)26-3/h4-11H,1-3H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-N,7-dimethylthieno[2,3-b]quinoline-2-carboxamide?
N-(5-chloro-2-methoxyphenyl)-N,7-dimethylthieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 396.90 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-N,7-dimethylthieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 15998138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).