[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate

C30H20N2O3S — CID 4565709

IUPAC[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate
SMILESO=C(OC(C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C30H20N2O3S/c33-28(23-18-31-24-13-6-4-12-21(23)24)29(19-9-2-1-3-10-19)35-30(34)22-17-26(27-15-8-16-36-27)32-25-14-7-5-11-20(22)25/h1-18,29,31H
InChIKeyFEDKULHLIHAULS-UHFFFAOYSA-N
MW488.57 g/mol
LogP7.23
Rot. Bonds6

About [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate

[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate (PubChem CID 4565709) has the molecular formula C30H20N2O3S and a molecular weight of 488.57 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate
PubChem CID4565709
Molecular FormulaC30H20N2O3S
Molecular Weight488.57 g/mol
Exact Mass488.12
IUPAC Name[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate
SMILESO=C(OC(C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C30H20N2O3S/c33-28(23-18-31-24-13-6-4-12-21(23)24)29(19-9-2-1-3-10-19)35-30(34)22-17-26(27-15-8-16-36-27)32-25-14-7-5-11-20(22)25/h1-18,29,31H
InChIKeyFEDKULHLIHAULS-UHFFFAOYSA-N
XLogP7.23
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.57
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate with MolForge

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Related Compounds

[(1S)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 126187868
[(1R)-2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 126179191
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 23766266
[(1S)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] naphthalene-1-carboxylate
CID 2479594
(1-methoxy-1-oxopropan-2-yl) 2-thiophen-2-ylquinoline-4-carboxylate
CID 42915242
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 1,3-benzothiazole-6-carboxylate
CID 4830727
[(1R)-2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7954517
N-[(E)-1H-indol-3-ylmethylideneamino]-2-thiophen-2-ylquinoline-4-carboxamide
CID 135501387
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2,3-dimethylbenzoate
CID 4571389
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 4-chlorobenzoate
CID 16540197
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 4016588
[2-(4-fluorophenyl)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 1218252

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate (CID 4565709) is [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate is O=C(OC(C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate?
The InChIKey is FEDKULHLIHAULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2O3S/c33-28(23-18-31-24-13-6-4-12-21(23)24)29(19-9-2-1-3-10-19)35-30(34)22-17-26(27-15-8-16-36-27)32-25-14-7-5-11-20(22)25/h1-18,29,31H.
What are the key properties of [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate?
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate has a molecular weight of 488.57 g/mol, XLogP of 7.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-thiophen-2-ylquinoline-4-carboxylate is sourced from PubChem (CID 4565709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).