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

C18H18N2O4S — CID 1459022

IUPACN-(2-hydroxyethyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
SMILESCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3cccs3)cc2c1
InChIInChI=1S/C18H18N2O4S/c1-24-14-4-5-15-12(10-14)9-13(17(22)19-15)11-20(6-7-21)18(23)16-3-2-8-25-16/h2-5,8-10,21H,6-7,11H2,1H3,(H,19,22)
InChIKeyFVYLZSMZBFMIAE-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.23
Rot. Bonds6

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

N-(2-hydroxyethyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 1459022) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
PubChem CID1459022
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-(2-hydroxyethyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
SMILESCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3cccs3)cc2c1
InChIInChI=1S/C18H18N2O4S/c1-24-14-4-5-15-12(10-14)9-13(17(22)19-15)11-20(6-7-21)18(23)16-3-2-8-25-16/h2-5,8-10,21H,6-7,11H2,1H3,(H,19,22)
InChIKeyFVYLZSMZBFMIAE-UHFFFAOYSA-N
XLogP2.23
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide (CID 1459022) is N-(2-hydroxyethyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide is COc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3cccs3)cc2c1.
What is the InChIKey of N-(2-hydroxyethyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is FVYLZSMZBFMIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-24-14-4-5-15-12(10-14)9-13(17(22)19-15)11-20(6-7-21)18(23)16-3-2-8-25-16/h2-5,8-10,21H,6-7,11H2,1H3,(H,19,22).
What are the key properties of N-(2-hydroxyethyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide?
N-(2-hydroxyethyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 1459022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).