1-(2-ethyl-6-methylphenyl)-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea

C22H25N3O2S — CID 7137060

IUPAC1-(2-ethyl-6-methylphenyl)-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea
SMILESCCc1cccc(C)c1NC(=S)NCCc1cc2ccc(OC)cc2[nH]c1=O
InChIInChI=1S/C22H25N3O2S/c1-4-15-7-5-6-14(2)20(15)25-22(28)23-11-10-17-12-16-8-9-18(27-3)13-19(16)24-21(17)26/h5-9,12-13H,4,10-11H2,1-3H3,(H,24,26)(H2,23,25,28)
InChIKeyRFNDPGOGVVVSJB-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.94
Rot. Bonds6

About 1-(2-ethyl-6-methylphenyl)-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea

1-(2-ethyl-6-methylphenyl)-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea (PubChem CID 7137060) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylphenyl)-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-(2-ethyl-6-methylphenyl)-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea
PubChem CID7137060
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name1-(2-ethyl-6-methylphenyl)-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea
SMILESCCc1cccc(C)c1NC(=S)NCCc1cc2ccc(OC)cc2[nH]c1=O
InChIInChI=1S/C22H25N3O2S/c1-4-15-7-5-6-14(2)20(15)25-22(28)23-11-10-17-12-16-8-9-18(27-3)13-19(16)24-21(17)26/h5-9,12-13H,4,10-11H2,1-3H3,(H,24,26)(H2,23,25,28)
InChIKeyRFNDPGOGVVVSJB-UHFFFAOYSA-N
XLogP3.94
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-ethyl-6-methylphenyl)-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]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-benzyl-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea
CID 7137050
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 4258688
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-propylpentanamide
CID 4079737
2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 7136774
1-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)thiourea
CID 7136867
1-benzyl-1-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-phenylethyl)thiourea
CID 1137517
N-(2-ethyl-6-methylphenyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110355986
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-nitrobenzamide
CID 5050311
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110609180
3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
CID 110298877
N-ethyl-3-methoxy-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1427703
2,3,4-trifluoro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110325968

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea?
The IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea (CID 7137060) is 1-(2-ethyl-6-methylphenyl)-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea.
What is the SMILES notation for 1-(2-ethyl-6-methylphenyl)-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea?
The canonical SMILES for 1-(2-ethyl-6-methylphenyl)-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea is CCc1cccc(C)c1NC(=S)NCCc1cc2ccc(OC)cc2[nH]c1=O.
What is the InChIKey of 1-(2-ethyl-6-methylphenyl)-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea?
The InChIKey is RFNDPGOGVVVSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-4-15-7-5-6-14(2)20(15)25-22(28)23-11-10-17-12-16-8-9-18(27-3)13-19(16)24-21(17)26/h5-9,12-13H,4,10-11H2,1-3H3,(H,24,26)(H2,23,25,28).
What are the key properties of 1-(2-ethyl-6-methylphenyl)-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea?
1-(2-ethyl-6-methylphenyl)-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea has a molecular weight of 395.53 g/mol, XLogP of 3.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylphenyl)-3-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiourea is sourced from PubChem (CID 7137060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).