5-amino-N-(4-ethylphenyl)-2-oxo-1-(thiophen-2-ylmethyl)quinoline-3-carboxamide

C23H21N3O2S — CID 142731883

IUPAC5-amino-N-(4-ethylphenyl)-2-oxo-1-(thiophen-2-ylmethyl)quinoline-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cc3c(N)cccc3n(Cc3cccs3)c2=O)cc1
InChIInChI=1S/C23H21N3O2S/c1-2-15-8-10-16(11-9-15)25-22(27)19-13-18-20(24)6-3-7-21(18)26(23(19)28)14-17-5-4-12-29-17/h3-13H,2,14,24H2,1H3,(H,25,27)
InChIKeyAMFREVUAHUUKOL-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.51
Rot. Bonds5

About 5-amino-N-(4-ethylphenyl)-2-oxo-1-(thiophen-2-ylmethyl)quinoline-3-carboxamide

5-amino-N-(4-ethylphenyl)-2-oxo-1-(thiophen-2-ylmethyl)quinoline-3-carboxamide (PubChem CID 142731883) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 5-amino-N-(4-ethylphenyl)-2-oxo-1-(thiophen-2-ylmethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-ethylphenyl)-2-oxo-1-(thiophen-2-ylmethyl)quinoline-3-carboxamide
PubChem CID142731883
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name5-amino-N-(4-ethylphenyl)-2-oxo-1-(thiophen-2-ylmethyl)quinoline-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cc3c(N)cccc3n(Cc3cccs3)c2=O)cc1
InChIInChI=1S/C23H21N3O2S/c1-2-15-8-10-16(11-9-15)25-22(27)19-13-18-20(24)6-3-7-21(18)26(23(19)28)14-17-5-4-12-29-17/h3-13H,2,14,24H2,1H3,(H,25,27)
InChIKeyAMFREVUAHUUKOL-UHFFFAOYSA-N
XLogP4.51
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026084
2,4-dioxo-3-(thiophen-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
CID 121026082
N-(4-bromo-3-methylphenyl)-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026219
N-(3-nitrophenyl)-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026039
2-amino-N-(4-ethylphenyl)-6-methylbenzamide
CID 16788782
2,4-dioxo-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026253
1-ethyl-N-(4-fluorophenyl)-5-[[2-(4-methylphenyl)acetyl]amino]-2-oxoquinoline-3-carboxamide
CID 118001712
N-(2,6-dichlorophenyl)-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026295
2,4-dioxo-N-quinolin-6-yl-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026290
N-(3-methyl-1,2-oxazol-5-yl)-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 71778401
N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide
CID 70852355
3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide
CID 61089660

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-ethylphenyl)-2-oxo-1-(thiophen-2-ylmethyl)quinoline-3-carboxamide?
The IUPAC name of 5-amino-N-(4-ethylphenyl)-2-oxo-1-(thiophen-2-ylmethyl)quinoline-3-carboxamide (CID 142731883) is 5-amino-N-(4-ethylphenyl)-2-oxo-1-(thiophen-2-ylmethyl)quinoline-3-carboxamide.
What is the SMILES notation for 5-amino-N-(4-ethylphenyl)-2-oxo-1-(thiophen-2-ylmethyl)quinoline-3-carboxamide?
The canonical SMILES for 5-amino-N-(4-ethylphenyl)-2-oxo-1-(thiophen-2-ylmethyl)quinoline-3-carboxamide is CCc1ccc(NC(=O)c2cc3c(N)cccc3n(Cc3cccs3)c2=O)cc1.
What is the InChIKey of 5-amino-N-(4-ethylphenyl)-2-oxo-1-(thiophen-2-ylmethyl)quinoline-3-carboxamide?
The InChIKey is AMFREVUAHUUKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c1-2-15-8-10-16(11-9-15)25-22(27)19-13-18-20(24)6-3-7-21(18)26(23(19)28)14-17-5-4-12-29-17/h3-13H,2,14,24H2,1H3,(H,25,27).
What are the key properties of 5-amino-N-(4-ethylphenyl)-2-oxo-1-(thiophen-2-ylmethyl)quinoline-3-carboxamide?
5-amino-N-(4-ethylphenyl)-2-oxo-1-(thiophen-2-ylmethyl)quinoline-3-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-ethylphenyl)-2-oxo-1-(thiophen-2-ylmethyl)quinoline-3-carboxamide is sourced from PubChem (CID 142731883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).