methyl 3-(quinoline-6-carbonylamino)thiophene-2-carboxylate

C16H12N2O3S — CID 2823273

IUPACmethyl 3-(quinoline-6-carbonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C16H12N2O3S/c1-21-16(20)14-13(6-8-22-14)18-15(19)11-4-5-12-10(9-11)3-2-7-17-12/h2-9H,1H3,(H,18,19)
InChIKeyJNURWGKHMIBYKU-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.34
Rot. Bonds3

About methyl 3-(quinoline-6-carbonylamino)thiophene-2-carboxylate

methyl 3-(quinoline-6-carbonylamino)thiophene-2-carboxylate (PubChem CID 2823273) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is methyl 3-(quinoline-6-carbonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(quinoline-6-carbonylamino)thiophene-2-carboxylate
PubChem CID2823273
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC Namemethyl 3-(quinoline-6-carbonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C16H12N2O3S/c1-21-16(20)14-13(6-8-22-14)18-15(19)11-4-5-12-10(9-11)3-2-7-17-12/h2-9H,1H3,(H,18,19)
InChIKeyJNURWGKHMIBYKU-UHFFFAOYSA-N
XLogP3.34
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2H-benzotriazole-5-carbonylamino)thiophene-2-carboxylate
CID 43422543
methyl 3-[[2-[3,5-bis(trifluoromethyl)phenyl]quinoline-6-carbonyl]amino]thiophene-2-carboxylate
CID 58874793
methyl 3-[(4-hydroxybenzoyl)amino]thiophene-2-carboxylate
CID 43112154
methyl 3-[(3-bromo-4-fluorobenzoyl)amino]thiophene-2-carboxylate
CID 103714210
N-(4-bromo-2-methylphenyl)quinoline-6-carboxamide
CID 62044989
N-(4-iodophenyl)quinoline-6-carboxamide
CID 60723213
methyl 3-(1H-pyrazole-4-carbonylamino)thiophene-2-carboxylate
CID 43608097
N-pyridin-4-ylquinoline-6-carboxamide
CID 53313330
(2-benzamidophenyl) quinoline-6-carboxylate
CID 90866941
methyl 3-[[4-(bromomethyl)benzoyl]amino]thiophene-2-carboxylate
CID 102850860
methyl 3-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]thiophene-2-carboxylate
CID 26705000
methyl 3-[[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate
CID 55413152

Frequently Asked Questions

What is the IUPAC name of methyl 3-(quinoline-6-carbonylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(quinoline-6-carbonylamino)thiophene-2-carboxylate (CID 2823273) is methyl 3-(quinoline-6-carbonylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(quinoline-6-carbonylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(quinoline-6-carbonylamino)thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1ccc2ncccc2c1.
What is the InChIKey of methyl 3-(quinoline-6-carbonylamino)thiophene-2-carboxylate?
The InChIKey is JNURWGKHMIBYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3S/c1-21-16(20)14-13(6-8-22-14)18-15(19)11-4-5-12-10(9-11)3-2-7-17-12/h2-9H,1H3,(H,18,19).
What are the key properties of methyl 3-(quinoline-6-carbonylamino)thiophene-2-carboxylate?
methyl 3-(quinoline-6-carbonylamino)thiophene-2-carboxylate has a molecular weight of 312.35 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(quinoline-6-carbonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 2823273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).