1-(2-methoxy-5-methylphenyl)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]thiourea

C24H21N5O2S — CID 1297140

IUPAC1-(2-methoxy-5-methylphenyl)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]thiourea
SMILESCOc1ccc(C)cc1NC(=S)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C24H21N5O2S/c1-15-10-11-22(31-2)21(13-15)27-24(32)29-28-23(30)17-14-20(19-9-5-6-12-25-19)26-18-8-4-3-7-16(17)18/h3-14H,1-2H3,(H,28,30)(H2,27,29,32)
InChIKeyHQWOSAWKGCPHDN-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.25
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]thiourea

1-(2-methoxy-5-methylphenyl)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]thiourea (PubChem CID 1297140) has the molecular formula C24H21N5O2S and a molecular weight of 443.53 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]thiourea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]thiourea
PubChem CID1297140
Molecular FormulaC24H21N5O2S
Molecular Weight443.53 g/mol
Exact Mass443.14
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]thiourea
SMILESCOc1ccc(C)cc1NC(=S)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C24H21N5O2S/c1-15-10-11-22(31-2)21(13-15)27-24(32)29-28-23(30)17-14-20(19-9-5-6-12-25-19)26-18-8-4-3-7-16(17)18/h3-14H,1-2H3,(H,28,30)(H2,27,29,32)
InChIKeyHQWOSAWKGCPHDN-UHFFFAOYSA-N
XLogP4.25
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-methoxy-5-methylphenyl)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]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

N'-[(E)-3-(3-methylphenyl)prop-2-enoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 26775351
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 4216551
N-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798247
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 8973347
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate
CID 23913495
N'-(2-methoxybenzoyl)-2-phenylquinoline-4-carbohydrazide
CID 6734416
methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 2220860
N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 26775333
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 4793520
1-methyl-3-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]thiourea
CID 4501252
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 135815935

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]thiourea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]thiourea (CID 1297140) is 1-(2-methoxy-5-methylphenyl)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]thiourea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]thiourea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]thiourea is COc1ccc(C)cc1NC(=S)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]thiourea?
The InChIKey is HQWOSAWKGCPHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S/c1-15-10-11-22(31-2)21(13-15)27-24(32)29-28-23(30)17-14-20(19-9-5-6-12-25-19)26-18-8-4-3-7-16(17)18/h3-14H,1-2H3,(H,28,30)(H2,27,29,32).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]thiourea?
1-(2-methoxy-5-methylphenyl)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]thiourea has a molecular weight of 443.53 g/mol, XLogP of 4.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]thiourea is sourced from PubChem (CID 1297140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).