1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea

C24H23N3O3S — CID 1374852

IUPAC1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
SMILESCOc1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C24H23N3O3S/c1-16-7-5-8-17-13-18(23(28)26-22(16)17)14-27(15-19-9-6-12-30-19)24(31)25-20-10-3-4-11-21(20)29-2/h3-13H,14-15H2,1-2H3,(H,25,31)(H,26,28)
InChIKeyLJNBWIBTUIWLFL-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.84
Rot. Bonds6

About 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea

1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea (PubChem CID 1374852) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
PubChem CID1374852
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
SMILESCOc1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O
InChIInChI=1S/C24H23N3O3S/c1-16-7-5-8-17-13-18(23(28)26-22(16)17)14-27(15-19-9-6-12-30-19)24(31)25-20-10-3-4-11-21(20)29-2/h3-13H,14-15H2,1-2H3,(H,25,31)(H,26,28)
InChIKeyLJNBWIBTUIWLFL-UHFFFAOYSA-N
XLogP4.84
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.84
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-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea (CID 1374852) is 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea is COc1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea?
The InChIKey is LJNBWIBTUIWLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-16-7-5-8-17-13-18(23(28)26-22(16)17)14-27(15-19-9-6-12-30-19)24(31)25-20-10-3-4-11-21(20)29-2/h3-13H,14-15H2,1-2H3,(H,25,31)(H,26,28).
What are the key properties of 1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea?
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea has a molecular weight of 433.53 g/mol, XLogP of 4.84, 6 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-(2-methoxyphenyl)-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea is sourced from PubChem (CID 1374852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).