1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-pentylthiourea

C23H26N4O2S — CID 9220474

IUPAC1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-pentylthiourea
SMILESCCCCCNC(=S)NNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12
InChIInChI=1S/C23H26N4O2S/c1-3-4-7-14-24-23(30)27-26-22(28)19-15-21(16-10-12-17(29-2)13-11-16)25-20-9-6-5-8-18(19)20/h5-6,8-13,15H,3-4,7,14H2,1-2H3,(H,26,28)(H2,24,27,30)
InChIKeyBQXRHPIPYSJEJX-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.21
Rot. Bonds7

About 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-pentylthiourea

1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-pentylthiourea (PubChem CID 9220474) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-pentylthiourea.

Molecular Properties

Compound Name1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-pentylthiourea
PubChem CID9220474
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-pentylthiourea
SMILESCCCCCNC(=S)NNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12
InChIInChI=1S/C23H26N4O2S/c1-3-4-7-14-24-23(30)27-26-22(28)19-15-21(16-10-12-17(29-2)13-11-16)25-20-9-6-5-8-18(19)20/h5-6,8-13,15H,3-4,7,14H2,1-2H3,(H,26,28)(H2,24,27,30)
InChIKeyBQXRHPIPYSJEJX-UHFFFAOYSA-N
XLogP4.21
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-pentylthiourea 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

2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
1-tert-butyl-3-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]thiourea
CID 9425509
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4540547
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
2-(4-methoxyphenyl)-6-methyl-N-pentylquinoline-4-carboxamide
CID 42749978
2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide
CID 3664969
2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 24542943
1-(2-methoxyethyl)-3-[(2-pyridin-3-ylquinoline-4-carbonyl)amino]thiourea
CID 24819782
2-(2,4-dimethoxyphenyl)-N-heptylquinoline-4-carboxamide
CID 4565614
2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]quinoline-4-carboxamide
CID 46098671
1-[2-(dimethylamino)ethyl]-3-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]thiourea
CID 8628003

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-pentylthiourea?
The IUPAC name of 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-pentylthiourea (CID 9220474) is 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-pentylthiourea.
What is the SMILES notation for 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-pentylthiourea?
The canonical SMILES for 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-pentylthiourea is CCCCCNC(=S)NNC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12.
What is the InChIKey of 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-pentylthiourea?
The InChIKey is BQXRHPIPYSJEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-3-4-7-14-24-23(30)27-26-22(28)19-15-21(16-10-12-17(29-2)13-11-16)25-20-9-6-5-8-18(19)20/h5-6,8-13,15H,3-4,7,14H2,1-2H3,(H,26,28)(H2,24,27,30).
What are the key properties of 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-pentylthiourea?
1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-pentylthiourea has a molecular weight of 422.55 g/mol, XLogP of 4.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-pentylthiourea is sourced from PubChem (CID 9220474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).