1-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-3-methylthiourea

C18H15ClN4OS — CID 4500720

IUPAC1-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-3-methylthiourea
SMILESCNC(=S)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C18H15ClN4OS/c1-20-18(25)23-22-17(24)13-10-16(12-7-2-4-8-14(12)19)21-15-9-5-3-6-11(13)15/h2-10H,1H3,(H,22,24)(H2,20,23,25)
InChIKeyULCWKYZPSDVGDV-UHFFFAOYSA-N
MW370.87 g/mol
LogP3.29
Rot. Bonds2

About 1-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-3-methylthiourea

1-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-3-methylthiourea (PubChem CID 4500720) has the molecular formula C18H15ClN4OS and a molecular weight of 370.87 g/mol. Its IUPAC name is 1-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-3-methylthiourea.

Molecular Properties

Compound Name1-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-3-methylthiourea
PubChem CID4500720
Molecular FormulaC18H15ClN4OS
Molecular Weight370.87 g/mol
Exact Mass370.07
IUPAC Name1-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-3-methylthiourea
SMILESCNC(=S)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C18H15ClN4OS/c1-20-18(25)23-22-17(24)13-10-16(12-7-2-4-8-14(12)19)21-15-9-5-3-6-11(13)15/h2-10H,1H3,(H,22,24)(H2,20,23,25)
InChIKeyULCWKYZPSDVGDV-UHFFFAOYSA-N
XLogP3.29
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.87
LogP ≤ 53.29
H-Bond Donors ≤ 53
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'}

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Related Compounds

2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
1-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-3-(4-nitrophenyl)thiourea
CID 171350748
1-methyl-3-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]thiourea
CID 4501252
2-(2-chlorophenyl)-N'-(pyridine-3-carbonyl)quinoline-4-carbohydrazide
CID 26641277
2-(2-chlorophenyl)-N'-(furan-3-carbonyl)quinoline-4-carbohydrazide
CID 27020677
2-(2-chlorophenyl)-N'-(2-chloropyridine-4-carbonyl)quinoline-4-carbohydrazide
CID 46523882
N-[(2S)-1-[2-[2-(2-chlorophenyl)quinoline-4-carbonyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 35781286
2-(2-chlorophenyl)-N-[8-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 5201132
2-(2-chlorophenyl)-N-(pentan-3-ylideneamino)quinoline-4-carboxamide
CID 16553720
N-(2-amino-2-oxoethoxy)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 167970107
N-[(Z)-butan-2-ylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 7933434
2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
CID 5128996

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-3-methylthiourea?
The IUPAC name of 1-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-3-methylthiourea (CID 4500720) is 1-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-3-methylthiourea.
What is the SMILES notation for 1-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-3-methylthiourea?
The canonical SMILES for 1-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-3-methylthiourea is CNC(=S)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of 1-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-3-methylthiourea?
The InChIKey is ULCWKYZPSDVGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4OS/c1-20-18(25)23-22-17(24)13-10-16(12-7-2-4-8-14(12)19)21-15-9-5-3-6-11(13)15/h2-10H,1H3,(H,22,24)(H2,20,23,25).
What are the key properties of 1-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-3-methylthiourea?
1-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-3-methylthiourea has a molecular weight of 370.87 g/mol, XLogP of 3.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]-3-methylthiourea is sourced from PubChem (CID 4500720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).