6-(6-hydroxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide;methane

C21H20N2O3S — CID 158659942

IUPAC6-(6-hydroxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide;methane
SMILESC.CNC(=O)c1c(C)sc2cc(Oc3ccnc4ccc(O)cc34)ccc12
InChIInChI=1S/C20H16N2O3S.CH4/c1-11-19(20(24)21-2)14-5-4-13(10-18(14)26-11)25-17-7-8-22-16-6-3-12(23)9-15(16)17;/h3-10,23H,1-2H3,(H,21,24);1H4
InChIKeyICPZKSVXKYGLBK-UHFFFAOYSA-N
MW380.47 g/mol
LogP5.25
Rot. Bonds3

About 6-(6-hydroxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide;methane

6-(6-hydroxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide;methane (PubChem CID 158659942) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 6-(6-hydroxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide;methane.

Molecular Properties

Compound Name6-(6-hydroxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide;methane
PubChem CID158659942
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name6-(6-hydroxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide;methane
SMILESC.CNC(=O)c1c(C)sc2cc(Oc3ccnc4ccc(O)cc34)ccc12
InChIInChI=1S/C20H16N2O3S.CH4/c1-11-19(20(24)21-2)14-5-4-13(10-18(14)26-11)25-17-7-8-22-16-6-3-12(23)9-15(16)17;/h3-10,23H,1-2H3,(H,21,24);1H4
InChIKeyICPZKSVXKYGLBK-UHFFFAOYSA-N
XLogP5.25
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.47
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-6-[2-(2-methylpyrazol-3-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide
CID 10025936
6-(7-hydroxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 135507449
2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid
CID 22143506
N-cyclopropyl-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide
CID 20767906
6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-3-carboxamide
CID 11431839
2-[4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]quinolin-7-yl]oxyacetic acid
CID 11165656
3-methoxy-N-methyl-5-quinolin-4-yloxybenzamide
CID 171350090
N-(3-hydroxypropyl)-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide
CID 59990759
N-(3-hydroxypropyl)-6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide
CID 59990785
4-[(2-cyano-3-methyl-1-benzothiophen-6-yl)oxy]-N-methylpyridine-2-carboxamide
CID 142556489
7-methoxy-4-(3-methoxyphenoxy)-N-methylquinoline-6-carboxamide
CID 69131598
N,1,2-trimethyl-6-[2-(pyrrolidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyindole-3-carboxamide
CID 20767885

Frequently Asked Questions

What is the IUPAC name of 6-(6-hydroxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide;methane?
The IUPAC name of 6-(6-hydroxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide;methane (CID 158659942) is 6-(6-hydroxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide;methane.
What is the SMILES notation for 6-(6-hydroxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide;methane?
The canonical SMILES for 6-(6-hydroxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide;methane is C.CNC(=O)c1c(C)sc2cc(Oc3ccnc4ccc(O)cc34)ccc12.
What is the InChIKey of 6-(6-hydroxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide;methane?
The InChIKey is ICPZKSVXKYGLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S.CH4/c1-11-19(20(24)21-2)14-5-4-13(10-18(14)26-11)25-17-7-8-22-16-6-3-12(23)9-15(16)17;/h3-10,23H,1-2H3,(H,21,24);1H4.
What are the key properties of 6-(6-hydroxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide;methane?
6-(6-hydroxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide;methane has a molecular weight of 380.47 g/mol, XLogP of 5.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-hydroxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide;methane is sourced from PubChem (CID 158659942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).