N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-thiophen-2-ylquinoline-4-carboxamide

C21H17N3O3S — CID 9080200

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(CNC(=O)c1cc(-c2cccs2)nc2ccccc12)NCc1ccco1
InChIInChI=1S/C21H17N3O3S/c25-20(22-12-14-5-3-9-27-14)13-23-21(26)16-11-18(19-8-4-10-28-19)24-17-7-2-1-6-15(16)17/h1-11H,12-13H2,(H,22,25)(H,23,26)
InChIKeyMIGOTUVHRHRECU-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.60
Rot. Bonds6

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-thiophen-2-ylquinoline-4-carboxamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 9080200) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID9080200
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESO=C(CNC(=O)c1cc(-c2cccs2)nc2ccccc12)NCc1ccco1
InChIInChI=1S/C21H17N3O3S/c25-20(22-12-14-5-3-9-27-14)13-23-21(26)16-11-18(19-8-4-10-28-19)24-17-7-2-1-6-15(16)17/h1-11H,12-13H2,(H,22,25)(H,23,26)
InChIKeyMIGOTUVHRHRECU-UHFFFAOYSA-N
XLogP3.60
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide
CID 9079005
2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]quinoline-4-carboxamide
CID 9079495
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
N-(furan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3241370
N-(furan-2-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 856014
N-(furan-2-ylmethylideneamino)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3469190
N-(pyridin-1-ium-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4164269
N-(3-phenylpropyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 3296086
N-(furan-2-ylmethyl)-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 19591229
N-[2-(cyclopropanecarbonylamino)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 32968803
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
CID 2570075
N'-phenyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 78774952

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 9080200) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-thiophen-2-ylquinoline-4-carboxamide is O=C(CNC(=O)c1cc(-c2cccs2)nc2ccccc12)NCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is MIGOTUVHRHRECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c25-20(22-12-14-5-3-9-27-14)13-23-21(26)16-11-18(19-8-4-10-28-19)24-17-7-2-1-6-15(16)17/h1-11H,12-13H2,(H,22,25)(H,23,26).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 9080200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).