1-ethyl-1-[(2-propylquinoline-4-carbonyl)amino]thiourea

C16H20N4OS — CID 22301211

IUPAC1-ethyl-1-[(2-propylquinoline-4-carbonyl)amino]thiourea
SMILESCCCc1cc(C(=O)NN(CC)C(N)=S)c2ccccc2n1
InChIInChI=1S/C16H20N4OS/c1-3-7-11-10-13(12-8-5-6-9-14(12)18-11)15(21)19-20(4-2)16(17)22/h5-6,8-10H,3-4,7H2,1-2H3,(H2,17,22)(H,19,21)
InChIKeyJRECMIFHELECPP-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.40
Rot. Bonds4

About 1-ethyl-1-[(2-propylquinoline-4-carbonyl)amino]thiourea

1-ethyl-1-[(2-propylquinoline-4-carbonyl)amino]thiourea (PubChem CID 22301211) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-ethyl-1-[(2-propylquinoline-4-carbonyl)amino]thiourea.

Molecular Properties

Compound Name1-ethyl-1-[(2-propylquinoline-4-carbonyl)amino]thiourea
PubChem CID22301211
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name1-ethyl-1-[(2-propylquinoline-4-carbonyl)amino]thiourea
SMILESCCCc1cc(C(=O)NN(CC)C(N)=S)c2ccccc2n1
InChIInChI=1S/C16H20N4OS/c1-3-7-11-10-13(12-8-5-6-9-14(12)18-11)15(21)19-20(4-2)16(17)22/h5-6,8-10H,3-4,7H2,1-2H3,(H2,17,22)(H,19,21)
InChIKeyJRECMIFHELECPP-UHFFFAOYSA-N
XLogP2.40
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethyl-1-[(2-propylquinoline-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

1-[[2-(3-butoxyphenyl)quinoline-4-carbonyl]amino]-1-ethylthiourea
CID 22301212
1-ethyl-1-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]amino]thiourea
CID 22306063
1-(1-benzothiophene-3-carbonylamino)-1-ethylthiourea
CID 22301185
2-(2-methylpropyl)quinoline-4-carbohydrazide
CID 4167752
1-(3-methylphenyl)-1-[(2-phenylquinoline-4-carbonyl)amino]thiourea
CID 21148811
3-[methyl-(2-propylquinolin-4-yl)amino]propanoic acid
CID 122059531
1-ethyl-1-[(2-methylfuran-3-carbonyl)amino]thiourea
CID 22305790
1-(4-bromophenyl)-1-[(2-phenylquinoline-4-carbonyl)amino]thiourea
CID 21148817
3-[(2-propylquinolin-4-yl)amino]propanoic acid
CID 122048260
N-[(2,4-diethoxyphenyl)methylideneamino]-2-propylquinoline-4-carboxamide
CID 1226483
2-(dimethylamino)-N-ethylquinoline-4-carboxamide
CID 53016631
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide
CID 61121065

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(2-propylquinoline-4-carbonyl)amino]thiourea?
The IUPAC name of 1-ethyl-1-[(2-propylquinoline-4-carbonyl)amino]thiourea (CID 22301211) is 1-ethyl-1-[(2-propylquinoline-4-carbonyl)amino]thiourea.
What is the SMILES notation for 1-ethyl-1-[(2-propylquinoline-4-carbonyl)amino]thiourea?
The canonical SMILES for 1-ethyl-1-[(2-propylquinoline-4-carbonyl)amino]thiourea is CCCc1cc(C(=O)NN(CC)C(N)=S)c2ccccc2n1.
What is the InChIKey of 1-ethyl-1-[(2-propylquinoline-4-carbonyl)amino]thiourea?
The InChIKey is JRECMIFHELECPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-3-7-11-10-13(12-8-5-6-9-14(12)18-11)15(21)19-20(4-2)16(17)22/h5-6,8-10H,3-4,7H2,1-2H3,(H2,17,22)(H,19,21).
What are the key properties of 1-ethyl-1-[(2-propylquinoline-4-carbonyl)amino]thiourea?
1-ethyl-1-[(2-propylquinoline-4-carbonyl)amino]thiourea has a molecular weight of 316.43 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(2-propylquinoline-4-carbonyl)amino]thiourea is sourced from PubChem (CID 22301211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).