[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-quinolin-6-ylethyl] thiophene-2-carboxylate

C24H20N2O4S — CID 43814239

IUPAC[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-quinolin-6-ylethyl] thiophene-2-carboxylate
SMILESCOc1ccc(CNC(=O)C(OC(=O)c2cccs2)c2ccc3ncccc3c2)cc1
InChIInChI=1S/C24H20N2O4S/c1-29-19-9-6-16(7-10-19)15-26-23(27)22(30-24(28)21-5-3-13-31-21)18-8-11-20-17(14-18)4-2-12-25-20/h2-14,22H,15H2,1H3,(H,26,27)
InChIKeyBCUYDBGTAFFXJK-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.52
Rot. Bonds7

About [2-[(4-methoxyphenyl)methylamino]-2-oxo-1-quinolin-6-ylethyl] thiophene-2-carboxylate

[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-quinolin-6-ylethyl] thiophene-2-carboxylate (PubChem CID 43814239) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methylamino]-2-oxo-1-quinolin-6-ylethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-quinolin-6-ylethyl] thiophene-2-carboxylate
PubChem CID43814239
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC Name[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-quinolin-6-ylethyl] thiophene-2-carboxylate
SMILESCOc1ccc(CNC(=O)C(OC(=O)c2cccs2)c2ccc3ncccc3c2)cc1
InChIInChI=1S/C24H20N2O4S/c1-29-19-9-6-16(7-10-19)15-26-23(27)22(30-24(28)21-5-3-13-31-21)18-8-11-20-17(14-18)4-2-12-25-20/h2-14,22H,15H2,1H3,(H,26,27)
InChIKeyBCUYDBGTAFFXJK-UHFFFAOYSA-N
XLogP4.52
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methylbutan-2-ylamino)-2-oxo-1-quinolin-6-ylethyl] thiophene-2-carboxylate
CID 3864334
[1-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 3227610
[(1S)-2-(benzylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 1470241
[(2S)-1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 1470123
[(1R)-2-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 51684466
[(1R)-1-(4-methoxyphenyl)-2-oxo-2-(2-phenylethylamino)ethyl] thiophene-2-carboxylate
CID 7404259
[(1S)-2-[(4-methylphenyl)methylamino]-2-oxo-1-phenylethyl] thiophene-2-carboxylate
CID 51686573
2-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 110296913
[1-(4-methoxyphenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 3219064
N-[(4-methoxyphenyl)methyl]-2-quinolin-6-ylprop-2-enamide
CID 25115005
[2-(2-methoxyethylamino)-2-oxo-1-pyridin-4-ylethyl] thiophene-2-carboxylate
CID 43817599
[(1R)-1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylamino]-2-oxoethyl] furan-2-carboxylate
CID 1432029

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxo-1-quinolin-6-ylethyl] thiophene-2-carboxylate?
The IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxo-1-quinolin-6-ylethyl] thiophene-2-carboxylate (CID 43814239) is [2-[(4-methoxyphenyl)methylamino]-2-oxo-1-quinolin-6-ylethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-[(4-methoxyphenyl)methylamino]-2-oxo-1-quinolin-6-ylethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-[(4-methoxyphenyl)methylamino]-2-oxo-1-quinolin-6-ylethyl] thiophene-2-carboxylate is COc1ccc(CNC(=O)C(OC(=O)c2cccs2)c2ccc3ncccc3c2)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methylamino]-2-oxo-1-quinolin-6-ylethyl] thiophene-2-carboxylate?
The InChIKey is BCUYDBGTAFFXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c1-29-19-9-6-16(7-10-19)15-26-23(27)22(30-24(28)21-5-3-13-31-21)18-8-11-20-17(14-18)4-2-12-25-20/h2-14,22H,15H2,1H3,(H,26,27).
What are the key properties of [2-[(4-methoxyphenyl)methylamino]-2-oxo-1-quinolin-6-ylethyl] thiophene-2-carboxylate?
[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-quinolin-6-ylethyl] thiophene-2-carboxylate has a molecular weight of 432.50 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methylamino]-2-oxo-1-quinolin-6-ylethyl] thiophene-2-carboxylate is sourced from PubChem (CID 43814239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).