5-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-thiophen-2-ylpentanamide

C19H18N2O3S — CID 110616660

IUPAC5-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-thiophen-2-ylpentanamide
SMILESO=C(CCCC(=O)c1cccs1)NCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C19H18N2O3S/c22-16(17-8-4-10-25-17)7-3-9-18(23)20-12-14-11-13-5-1-2-6-15(13)21-19(14)24/h1-2,4-6,8,10-11H,3,7,9,12H2,(H,20,23)(H,21,24)
InChIKeyILBRWFMTAXFZAI-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.26
Rot. Bonds7

About 5-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-thiophen-2-ylpentanamide

5-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-thiophen-2-ylpentanamide (PubChem CID 110616660) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 5-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound Name5-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-thiophen-2-ylpentanamide
PubChem CID110616660
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name5-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-thiophen-2-ylpentanamide
SMILESO=C(CCCC(=O)c1cccs1)NCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C19H18N2O3S/c22-16(17-8-4-10-25-17)7-3-9-18(23)20-12-14-11-13-5-1-2-6-15(13)21-19(14)24/h1-2,4-6,8,10-11H,3,7,9,12H2,(H,20,23)(H,21,24)
InChIKeyILBRWFMTAXFZAI-UHFFFAOYSA-N
XLogP3.26
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 110414004
3-(furan-2-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110413242
5-(4-fluorophenyl)-5-oxo-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]pentanamide
CID 110413637
N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 110608858
2-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616680
N-[(2-oxo-1H-quinolin-3-yl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110619588
N-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9104484
2-(4-oxo-3H-phthalazin-1-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 139017463
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
CID 110324370
N-(2-methylpropyl)-5-oxo-5-thiophen-2-ylpentanamide
CID 110298004
N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 24666522
5-oxo-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-5-thiophen-2-ylpentanamide
CID 20819233

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-thiophen-2-ylpentanamide?
The IUPAC name of 5-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-thiophen-2-ylpentanamide (CID 110616660) is 5-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-thiophen-2-ylpentanamide.
What is the SMILES notation for 5-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-thiophen-2-ylpentanamide?
The canonical SMILES for 5-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-thiophen-2-ylpentanamide is O=C(CCCC(=O)c1cccs1)NCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 5-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-thiophen-2-ylpentanamide?
The InChIKey is ILBRWFMTAXFZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c22-16(17-8-4-10-25-17)7-3-9-18(23)20-12-14-11-13-5-1-2-6-15(13)21-19(14)24/h1-2,4-6,8,10-11H,3,7,9,12H2,(H,20,23)(H,21,24).
What are the key properties of 5-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-thiophen-2-ylpentanamide?
5-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-thiophen-2-ylpentanamide has a molecular weight of 354.43 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 110616660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).