4-methyl-2-(quinolin-8-ylamino)benzenecarbothioamide

C17H15N3S — CID 62309061

IUPAC4-methyl-2-(quinolin-8-ylamino)benzenecarbothioamide
SMILESCc1ccc(C(N)=S)c(Nc2cccc3cccnc23)c1
InChIInChI=1S/C17H15N3S/c1-11-7-8-13(17(18)21)15(10-11)20-14-6-2-4-12-5-3-9-19-16(12)14/h2-10,20H,1H3,(H2,18,21)
InChIKeyDWXWEVMRMZFBSW-UHFFFAOYSA-N
MW293.40 g/mol
LogP3.92
Rot. Bonds3

About 4-methyl-2-(quinolin-8-ylamino)benzenecarbothioamide

4-methyl-2-(quinolin-8-ylamino)benzenecarbothioamide (PubChem CID 62309061) has the molecular formula C17H15N3S and a molecular weight of 293.40 g/mol. Its IUPAC name is 4-methyl-2-(quinolin-8-ylamino)benzenecarbothioamide.

Molecular Properties

Compound Name4-methyl-2-(quinolin-8-ylamino)benzenecarbothioamide
PubChem CID62309061
Molecular FormulaC17H15N3S
Molecular Weight293.40 g/mol
Exact Mass293.10
IUPAC Name4-methyl-2-(quinolin-8-ylamino)benzenecarbothioamide
SMILESCc1ccc(C(N)=S)c(Nc2cccc3cccnc23)c1
InChIInChI=1S/C17H15N3S/c1-11-7-8-13(17(18)21)15(10-11)20-14-6-2-4-12-5-3-9-19-16(12)14/h2-10,20H,1H3,(H2,18,21)
InChIKeyDWXWEVMRMZFBSW-UHFFFAOYSA-N
XLogP3.92
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(quinolin-8-ylamino)pyridine-4-carbothioamide
CID 114288039
4-methyl-2-(2-methylsulfanylanilino)benzenecarbothioamide
CID 107644930
4-N-(2,5-dimethylphenyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 22547024
1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea
CID 48742637
2-[2-(difluoromethylsulfanyl)anilino]-4-methylbenzenecarbothioamide
CID 63519733
3-N-(2,5-dimethylphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112963276
4-methyl-2-(methylamino)benzenecarbothioamide
CID 62309052
N-(2,5-dimethylphenyl)-6-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109162626
6-methyl-2-N-quinolin-8-ylpyridine-2,5-diamine
CID 79021158
2-(4-methylphenyl)-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]acetamide
CID 113050401
3-amino-2-(quinolin-8-ylamino)benzamide
CID 115933843
1-[2-amino-4-(quinolin-8-ylamino)phenyl]ethanone
CID 104528278

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(quinolin-8-ylamino)benzenecarbothioamide?
The IUPAC name of 4-methyl-2-(quinolin-8-ylamino)benzenecarbothioamide (CID 62309061) is 4-methyl-2-(quinolin-8-ylamino)benzenecarbothioamide.
What is the SMILES notation for 4-methyl-2-(quinolin-8-ylamino)benzenecarbothioamide?
The canonical SMILES for 4-methyl-2-(quinolin-8-ylamino)benzenecarbothioamide is Cc1ccc(C(N)=S)c(Nc2cccc3cccnc23)c1.
What is the InChIKey of 4-methyl-2-(quinolin-8-ylamino)benzenecarbothioamide?
The InChIKey is DWXWEVMRMZFBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S/c1-11-7-8-13(17(18)21)15(10-11)20-14-6-2-4-12-5-3-9-19-16(12)14/h2-10,20H,1H3,(H2,18,21).
What are the key properties of 4-methyl-2-(quinolin-8-ylamino)benzenecarbothioamide?
4-methyl-2-(quinolin-8-ylamino)benzenecarbothioamide has a molecular weight of 293.40 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(quinolin-8-ylamino)benzenecarbothioamide is sourced from PubChem (CID 62309061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).