N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-oxo-1H-quinoline-4-carboxamide

C17H15ClN2O2S — CID 9115919

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H15ClN2O2S/c1-2-20(10-11-7-8-15(18)23-11)17(22)13-9-16(21)19-14-6-4-3-5-12(13)14/h3-9H,2,10H2,1H3,(H,19,21)
InChIKeyPQTAPPWMVNGEPC-UHFFFAOYSA-N
MW346.84 g/mol
LogP3.91
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-oxo-1H-quinoline-4-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 9115919) has the molecular formula C17H15ClN2O2S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-oxo-1H-quinoline-4-carboxamide
PubChem CID9115919
Molecular FormulaC17H15ClN2O2S
Molecular Weight346.84 g/mol
Exact Mass346.05
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H15ClN2O2S/c1-2-20(10-11-7-8-15(18)23-11)17(22)13-9-16(21)19-14-6-4-3-5-12(13)14/h3-9H,2,10H2,1H3,(H,19,21)
InChIKeyPQTAPPWMVNGEPC-UHFFFAOYSA-N
XLogP3.91
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-oxo-1H-quinoline-4-carboxamide (CID 9115919) is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-oxo-1H-quinoline-4-carboxamide is CCN(Cc1ccc(Cl)s1)C(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is PQTAPPWMVNGEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2S/c1-2-20(10-11-7-8-15(18)23-11)17(22)13-9-16(21)19-14-6-4-3-5-12(13)14/h3-9H,2,10H2,1H3,(H,19,21).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-oxo-1H-quinoline-4-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 346.84 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 9115919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).