N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-oxo-5-thiophen-2-ylpentanamide

C22H24N2O3S — CID 110414004

IUPACN-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-oxo-5-thiophen-2-ylpentanamide
SMILESCc1cc(C)c2cc(CCNC(=O)CCCC(=O)c3cccs3)c(=O)[nH]c2c1
InChIInChI=1S/C22H24N2O3S/c1-14-11-15(2)17-13-16(22(27)24-18(17)12-14)8-9-23-21(26)7-3-5-19(25)20-6-4-10-28-20/h4,6,10-13H,3,5,7-9H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyQYBSAPOKYOJSIL-UHFFFAOYSA-N
MW396.51 g/mol
LogP3.92
Rot. Bonds8

About N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-oxo-5-thiophen-2-ylpentanamide

N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-oxo-5-thiophen-2-ylpentanamide (PubChem CID 110414004) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-oxo-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound NameN-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-oxo-5-thiophen-2-ylpentanamide
PubChem CID110414004
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-oxo-5-thiophen-2-ylpentanamide
SMILESCc1cc(C)c2cc(CCNC(=O)CCCC(=O)c3cccs3)c(=O)[nH]c2c1
InChIInChI=1S/C22H24N2O3S/c1-14-11-15(2)17-13-16(22(27)24-18(17)12-14)8-9-23-21(26)7-3-5-19(25)20-6-4-10-28-20/h4,6,10-13H,3,5,7-9H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyQYBSAPOKYOJSIL-UHFFFAOYSA-N
XLogP3.92
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(2-phenylethyl)propanamide
CID 110331725
3-acetamido-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110415464
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110616824
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-fluorophenyl)propanamide
CID 110415422
5-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-thiophen-2-ylpentanamide
CID 110616660
1-thiophen-2-yl-4-(2,4,6-trimethylphenoxy)butan-1-one
CID 63567770
2-(dimethylamino)-N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylacetamide
CID 110609132
1-[(3-chlorophenyl)methyl]-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110414049
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 1453893
3-butyl-1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(thiophen-2-ylmethyl)thiourea
CID 3174018
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110662819
1-cyclohexyl-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110326400

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-oxo-5-thiophen-2-ylpentanamide?
The IUPAC name of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-oxo-5-thiophen-2-ylpentanamide (CID 110414004) is N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-oxo-5-thiophen-2-ylpentanamide.
What is the SMILES notation for N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-oxo-5-thiophen-2-ylpentanamide?
The canonical SMILES for N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-oxo-5-thiophen-2-ylpentanamide is Cc1cc(C)c2cc(CCNC(=O)CCCC(=O)c3cccs3)c(=O)[nH]c2c1.
What is the InChIKey of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-oxo-5-thiophen-2-ylpentanamide?
The InChIKey is QYBSAPOKYOJSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-14-11-15(2)17-13-16(22(27)24-18(17)12-14)8-9-23-21(26)7-3-5-19(25)20-6-4-10-28-20/h4,6,10-13H,3,5,7-9H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-oxo-5-thiophen-2-ylpentanamide?
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-oxo-5-thiophen-2-ylpentanamide has a molecular weight of 396.51 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-5-oxo-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 110414004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).