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

C19H20N2O4S — CID 1459141

IUPACN-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3cccs3)cc2c1
InChIInChI=1S/C19H20N2O4S/c1-2-25-15-5-6-16-13(11-15)10-14(18(23)20-16)12-21(7-8-22)19(24)17-4-3-9-26-17/h3-6,9-11,22H,2,7-8,12H2,1H3,(H,20,23)
InChIKeyBVYXJRSFGIIUDQ-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.62
Rot. Bonds7

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

N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide (PubChem CID 1459141) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide
PubChem CID1459141
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3cccs3)cc2c1
InChIInChI=1S/C19H20N2O4S/c1-2-25-15-5-6-16-13(11-15)10-14(18(23)20-16)12-21(7-8-22)19(24)17-4-3-9-26-17/h3-6,9-11,22H,2,7-8,12H2,1H3,(H,20,23)
InChIKeyBVYXJRSFGIIUDQ-UHFFFAOYSA-N
XLogP2.62
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(2-hydroxyethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1453431
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-methoxyphenyl)urea
CID 1430887
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea
CID 3172035
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-methoxyphenyl)thiourea
CID 1137300
6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one
CID 865121
3-(4-ethoxyphenyl)-1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1176883
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 1141662
N-[(2-chlorophenyl)methyl]-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1459205
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)-3-(2-methylpropyl)thiourea
CID 3172053
4-bromo-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)benzenesulfonamide
CID 1165278
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
CID 1459246
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)-1-(3-hydroxypropyl)urea
CID 3194782

Frequently Asked Questions

What is the IUPAC name of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide?
The IUPAC name of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide (CID 1459141) is N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide is CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3cccs3)cc2c1.
What is the InChIKey of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide?
The InChIKey is BVYXJRSFGIIUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-2-25-15-5-6-16-13(11-15)10-14(18(23)20-16)12-21(7-8-22)19(24)17-4-3-9-26-17/h3-6,9-11,22H,2,7-8,12H2,1H3,(H,20,23).
What are the key properties of N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide?
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 1459141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).