ethyl 5-ethyl-2-[(8-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate

C25H23N3O3S — CID 17372871

IUPACethyl 5-ethyl-2-[(8-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)c1cc(-c2cccnc2)nc2c(C)cccc12
InChIInChI=1S/C25H23N3O3S/c1-4-17-12-20(25(30)31-5-2)24(32-17)28-23(29)19-13-21(16-9-7-11-26-14-16)27-22-15(3)8-6-10-18(19)22/h6-14H,4-5H2,1-3H3,(H,28,29)
InChIKeyQHPNGLPDKWICJC-UHFFFAOYSA-N
MW445.54 g/mol
LogP5.66
Rot. Bonds6

About ethyl 5-ethyl-2-[(8-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate

ethyl 5-ethyl-2-[(8-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 17372871) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is ethyl 5-ethyl-2-[(8-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-[(8-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
PubChem CID17372871
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC Nameethyl 5-ethyl-2-[(8-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)c1cc(-c2cccnc2)nc2c(C)cccc12
InChIInChI=1S/C25H23N3O3S/c1-4-17-12-20(25(30)31-5-2)24(32-17)28-23(29)19-13-21(16-9-7-11-26-14-16)27-22-15(3)8-6-10-18(19)22/h6-14H,4-5H2,1-3H3,(H,28,29)
InChIKeyQHPNGLPDKWICJC-UHFFFAOYSA-N
XLogP5.66
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.54
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-ethyl-2-[(8-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 5-ethyl-2-(pyridine-4-carbonylamino)thiophene-3-carboxylate
CID 2220326
ethyl 5-methyl-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
CID 17374077
N-(furan-2-ylmethyl)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 17373004
ethyl 5-ethyl-2-[(2-phenoxypyridine-3-carbonyl)amino]thiophene-3-carboxylate
CID 2799306
ethyl 5-ethyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate
CID 964645
ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate
CID 78779030
ethyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate
CID 874629
ethyl 2-[[2-(2,3-dimethylbenzoyl)oxyacetyl]amino]-5-ethylthiophene-3-carboxylate
CID 7765167
ethyl 2-[(2-chlorofuran-3-carbonyl)amino]-5-ethylthiophene-3-carboxylate
CID 106685687
N-[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 17375454
N-(4-butan-2-ylphenyl)-8-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 17349145
ethyl 5-ethyl-2-(2-methylbutanoylamino)thiophene-3-carboxylate
CID 43409835

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-[(8-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-[(8-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate (CID 17372871) is ethyl 5-ethyl-2-[(8-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-[(8-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-[(8-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)c1cc(-c2cccnc2)nc2c(C)cccc12.
What is the InChIKey of ethyl 5-ethyl-2-[(8-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is QHPNGLPDKWICJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-4-17-12-20(25(30)31-5-2)24(32-17)28-23(29)19-13-21(16-9-7-11-26-14-16)27-22-15(3)8-6-10-18(19)22/h6-14H,4-5H2,1-3H3,(H,28,29).
What are the key properties of ethyl 5-ethyl-2-[(8-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate?
ethyl 5-ethyl-2-[(8-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 445.54 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-[(8-methyl-2-pyridin-3-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 17372871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).