[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate

C21H15ClN2O4S — CID 2570075

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)NCc1ccco1
InChIInChI=1S/C21H15ClN2O4S/c22-19-8-7-18(29-19)17-10-15(14-5-1-2-6-16(14)24-17)21(26)28-12-20(25)23-11-13-4-3-9-27-13/h1-10H,11-12H2,(H,23,25)
InChIKeyBXNBSEVTFJGFHO-UHFFFAOYSA-N
MW426.88 g/mol
LogP4.68
Rot. Bonds6

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate (PubChem CID 2570075) has the molecular formula C21H15ClN2O4S and a molecular weight of 426.88 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
PubChem CID2570075
Molecular FormulaC21H15ClN2O4S
Molecular Weight426.88 g/mol
Exact Mass426.04
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)NCc1ccco1
InChIInChI=1S/C21H15ClN2O4S/c22-19-8-7-18(29-19)17-10-15(14-5-1-2-6-16(14)24-17)21(26)28-12-20(25)23-11-13-4-3-9-27-13/h1-10H,11-12H2,(H,23,25)
InChIKeyBXNBSEVTFJGFHO-UHFFFAOYSA-N
XLogP4.68
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
CID 18160155
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 2353574
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
CID 2373942
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
CID 2438228
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 2364822
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
CID 55398558
[2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
CID 3993864
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 9330812
[2-(furan-2-ylmethylamino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 2365239
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 9080200
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
2-(5-chlorothiophen-2-yl)-N-[3-[[2-(5-chlorothiophen-2-yl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3689968

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate (CID 2570075) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate is O=C(COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)NCc1ccco1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate?
The InChIKey is BXNBSEVTFJGFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O4S/c22-19-8-7-18(29-19)17-10-15(14-5-1-2-6-16(14)24-17)21(26)28-12-20(25)23-11-13-4-3-9-27-13/h1-10H,11-12H2,(H,23,25).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate has a molecular weight of 426.88 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 2570075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).