1-(furan-2-ylmethyl)-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea

C20H22N4OS — CID 46251268

IUPAC1-(furan-2-ylmethyl)-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea
SMILESCc1cc(N2CCCC2)nc2ccc(NC(=S)NCc3ccco3)cc12
InChIInChI=1S/C20H22N4OS/c1-14-11-19(24-8-2-3-9-24)23-18-7-6-15(12-17(14)18)22-20(26)21-13-16-5-4-10-25-16/h4-7,10-12H,2-3,8-9,13H2,1H3,(H2,21,22,26)
InChIKeyUUTKCWHTKQGAEH-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.22
Rot. Bonds4

About 1-(furan-2-ylmethyl)-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea

1-(furan-2-ylmethyl)-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea (PubChem CID 46251268) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea
PubChem CID46251268
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name1-(furan-2-ylmethyl)-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea
SMILESCc1cc(N2CCCC2)nc2ccc(NC(=S)NCc3ccco3)cc12
InChIInChI=1S/C20H22N4OS/c1-14-11-19(24-8-2-3-9-24)23-18-7-6-15(12-17(14)18)22-20(26)21-13-16-5-4-10-25-16/h4-7,10-12H,2-3,8-9,13H2,1H3,(H2,21,22,26)
InChIKeyUUTKCWHTKQGAEH-UHFFFAOYSA-N
XLogP4.22
TPSA53.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(furan-2-ylmethyl)-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyethyl)-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea
CID 12005440
1-(3-ethoxypropyl)-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea
CID 12005271
1-[3-(4-ethylpiperazin-1-yl)propyl]-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea
CID 45489217
1-(furan-2-ylmethyl)-3-(4-piperidin-1-ylphenyl)thiourea
CID 8626316
1-[4-(azepan-1-yl)-6-(1,3-dihydroisoindol-2-yl)pyrimidin-2-yl]-3-(furan-2-ylmethyl)thiourea
CID 100778758
(E)-3-(furan-2-yl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide
CID 6248311
1-(2-methoxyethyl)-3-(4-methyl-2-morpholin-4-ylquinolin-6-yl)thiourea
CID 4195707
1-[(4-methylphenyl)methyl]-3-(4-methyl-2-piperidin-1-ylquinolin-6-yl)urea
CID 46288431
1-(furan-2-ylmethyl)-3-[4-[(2S)-2-methylpiperidin-1-yl]-6-piperidin-1-ylpyrimidin-2-yl]thiourea
CID 100778592
1-[4-(azepan-1-yl)-6-pyrimidin-2-ylsulfanylpyrimidin-2-yl]-3-(furan-2-ylmethyl)thiourea
CID 100778768
1-[4-(1,3-dihydroisoindol-2-yl)-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]-3-(furan-2-ylmethyl)thiourea
CID 100778736
1-[2-[benzyl(methyl)amino]ethyl]-3-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]thiourea
CID 46247996

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea (CID 46251268) is 1-(furan-2-ylmethyl)-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea is Cc1cc(N2CCCC2)nc2ccc(NC(=S)NCc3ccco3)cc12.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea?
The InChIKey is UUTKCWHTKQGAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-14-11-19(24-8-2-3-9-24)23-18-7-6-15(12-17(14)18)22-20(26)21-13-16-5-4-10-25-16/h4-7,10-12H,2-3,8-9,13H2,1H3,(H2,21,22,26).
What are the key properties of 1-(furan-2-ylmethyl)-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea?
1-(furan-2-ylmethyl)-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea has a molecular weight of 366.49 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)thiourea is sourced from PubChem (CID 46251268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).