N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide

C22H19N3O2S — CID 46349016

IUPACN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NCCSCc1ccco1)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C22H19N3O2S/c26-22(24-11-13-28-15-16-6-5-12-27-16)18-14-21(20-9-3-4-10-23-20)25-19-8-2-1-7-17(18)19/h1-10,12,14H,11,13,15H2,(H,24,26)
InChIKeyQHVFKUXPJZOALO-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.55
Rot. Bonds7

About N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 46349016) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID46349016
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC NameN-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NCCSCc1ccco1)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C22H19N3O2S/c26-22(24-11-13-28-15-16-6-5-12-27-16)18-14-21(20-9-3-4-10-23-20)25-19-8-2-1-7-17(18)19/h1-10,12,14H,11,13,15H2,(H,24,26)
InChIKeyQHVFKUXPJZOALO-UHFFFAOYSA-N
XLogP4.55
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]ethyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 46348996
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
N-(furan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3241370
2-(4-acetamidophenyl)-N-[2-(furan-2-yl)ethyl]quinoline-4-carboxamide
CID 46375317
N-[3-oxo-3-[2-(2-pyridin-2-ylquinoline-4-carbonyl)hydrazinyl]propyl]benzamide
CID 4801871
2-(difluoromethylsulfanyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 18113801
2-(2,4-dimethylquinolin-3-yl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 18113732
N-[(2-chlorophenyl)methyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 3611934
N-(furan-2-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 856014
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide
CID 9079005

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide (CID 46349016) is N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide is O=C(NCCSCc1ccco1)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is QHVFKUXPJZOALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c26-22(24-11-13-28-15-16-6-5-12-27-16)18-14-21(20-9-3-4-10-23-20)25-19-8-2-1-7-17(18)19/h1-10,12,14H,11,13,15H2,(H,24,26).
What are the key properties of N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide?
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 46349016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).