N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide

C19H20N2O5S — CID 1459260

IUPACN-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide
SMILESCOc1cc2cc(CN(CCO)C(=O)c3cccs3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C19H20N2O5S/c1-25-15-9-12-8-13(18(23)20-14(12)10-16(15)26-2)11-21(5-6-22)19(24)17-4-3-7-27-17/h3-4,7-10,22H,5-6,11H2,1-2H3,(H,20,23)
InChIKeyJFCWKSVIBQLEQN-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.24
Rot. Bonds7

About N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide

N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide (PubChem CID 1459260) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide
PubChem CID1459260
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC NameN-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide
SMILESCOc1cc2cc(CN(CCO)C(=O)c3cccs3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C19H20N2O5S/c1-25-15-9-12-8-13(18(23)20-14(12)10-16(15)26-2)11-21(5-6-22)19(24)17-4-3-7-27-17/h3-4,7-10,22H,5-6,11H2,1-2H3,(H,20,23)
InChIKeyJFCWKSVIBQLEQN-UHFFFAOYSA-N
XLogP2.24
TPSA91.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylthiophene-2-carboxamide
CID 946539
N-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxamide
CID 1247262
N-(4,5-dimethoxy-2-methylphenyl)-2-thiophen-3-ylacetamide
CID 7751189
4,5-Dimethoxy-2-[(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid methyl ester
CID 803078
1-(6,7-Dimethoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-1-thiophen-2-ylmethyl-3-p-tolyl-thiourea
CID 1149957
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 1149974
N-(7-propanoyl-2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
CID 1331552
Thiophene-2-carboxylic acid (2-hydroxy-ethyl)-(6-methoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-amide
CID 1459022
N-[7-(1-hydroxypropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]thiophene-2-carboxamide
CID 2969119
3-[3-(dimethylamino)propyl]-1-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-1-(thiophen-2-ylmethyl)thiourea
CID 3176274
3-(2-Methoxy-phenyl)-1-(6-oxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinolin-7-ylmethyl)-1-thiophen-2-ylmethyl-urea
CID 3195014
N-[2-(3,4-dimethoxy-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215889

Frequently Asked Questions

What is the IUPAC name of N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide?
The IUPAC name of N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide (CID 1459260) is N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide is COc1cc2cc(CN(CCO)C(=O)c3cccs3)c(=O)[nH]c2cc1OC.
What is the InChIKey of N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide?
The InChIKey is JFCWKSVIBQLEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-25-15-9-12-8-13(18(23)20-14(12)10-16(15)26-2)11-21(5-6-22)19(24)17-4-3-7-27-17/h3-4,7-10,22H,5-6,11H2,1-2H3,(H,20,23).
What are the key properties of N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide?
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 1459260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).