ethyl 5-methyl-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate

C23H19N3O3S — CID 17374077

IUPACethyl 5-methyl-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C23H19N3O3S/c1-3-29-23(28)18-12-14(2)30-22(18)26-21(27)17-13-20(15-8-10-24-11-9-15)25-19-7-5-4-6-16(17)19/h4-13H,3H2,1-2H3,(H,26,27)
InChIKeyONHRMERZRBLDOK-UHFFFAOYSA-N
MW417.49 g/mol
LogP5.10
Rot. Bonds5

About ethyl 5-methyl-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate

ethyl 5-methyl-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 17374077) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is ethyl 5-methyl-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
PubChem CID17374077
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Nameethyl 5-methyl-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C23H19N3O3S/c1-3-29-23(28)18-12-14(2)30-22(18)26-21(27)17-13-20(15-8-10-24-11-9-15)25-19-7-5-4-6-16(17)19/h4-13H,3H2,1-2H3,(H,26,27)
InChIKeyONHRMERZRBLDOK-UHFFFAOYSA-N
XLogP5.10
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.49
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-methyl-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 4-(4-chlorophenyl)-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
CID 2359102
methyl 5-methyl-2-[[2-(4-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]thiophene-3-carboxylate
CID 4144337
ethyl 5-methyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
CID 60795103
N-[(5-methylthiophen-2-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55794770
methyl 4-methyl-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate
CID 26198220
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 2463363
N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55978013
N-[(2S)-pentan-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 25337304
ethyl 4,5-dimethyl-2-[(6-methyl-2-phenylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
CID 3165783
methyl 2-[[2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carbonyl]amino]-5-methylthiophene-3-carboxylate
CID 19511808
ethyl 2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]-4-phenylthiophene-3-carboxylate
CID 3476447
ethyl 2-[[2-(4-ethylphenyl)quinoline-4-carbonyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate
CID 3621918

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate (CID 17374077) is ethyl 5-methyl-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate is CCOC(=O)c1cc(C)sc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of ethyl 5-methyl-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is ONHRMERZRBLDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-3-29-23(28)18-12-14(2)30-22(18)26-21(27)17-13-20(15-8-10-24-11-9-15)25-19-7-5-4-6-16(17)19/h4-13H,3H2,1-2H3,(H,26,27).
What are the key properties of ethyl 5-methyl-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate?
ethyl 5-methyl-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 417.49 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 17374077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).