6,8-dimethoxy-4-methylquinoline-2-carbothioamide

C13H14N2O2S — CID 82574234

IUPAC6,8-dimethoxy-4-methylquinoline-2-carbothioamide
SMILESCOc1cc(OC)c2nc(C(N)=S)cc(C)c2c1
InChIInChI=1S/C13H14N2O2S/c1-7-4-10(13(14)18)15-12-9(7)5-8(16-2)6-11(12)17-3/h4-6H,1-3H3,(H2,14,18)
InChIKeyQAYQAKWPNFQQIQ-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.19
Rot. Bonds3

About 6,8-dimethoxy-4-methylquinoline-2-carbothioamide

6,8-dimethoxy-4-methylquinoline-2-carbothioamide (PubChem CID 82574234) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 6,8-dimethoxy-4-methylquinoline-2-carbothioamide.

Molecular Properties

Compound Name6,8-dimethoxy-4-methylquinoline-2-carbothioamide
PubChem CID82574234
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name6,8-dimethoxy-4-methylquinoline-2-carbothioamide
SMILESCOc1cc(OC)c2nc(C(N)=S)cc(C)c2c1
InChIInChI=1S/C13H14N2O2S/c1-7-4-10(13(14)18)15-12-9(7)5-8(16-2)6-11(12)17-3/h4-6H,1-3H3,(H2,14,18)
InChIKeyQAYQAKWPNFQQIQ-UHFFFAOYSA-N
XLogP2.19
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(6,8-dimethoxy-4-methylquinolin-2-yl)amino]propanamide
CID 50957560
1-(6,8-dimethoxy-4-methylquinolin-2-yl)propan-2-amine
CID 82577528
8-fluoro-6-iodo-4-methylquinoline-2-carbothioamide
CID 82574252
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-6,8-dimethoxy-4-methylquinolin-2-amine
CID 166617250
4-chloro-6,8-dimethoxy-2-methylquinazoline
CID 89399960
8-chloro-4-methylquinoline-2-carbothioamide
CID 82574215
8-fluoro-4-methylquinoline-2-carbothioamide
CID 82574203
5-chloro-8-methoxyquinoline-2-carbothioamide
CID 82245102
2-(aminomethyl)-6,8-dimethoxy-N,N,3-trimethylquinolin-4-amine
CID 82248240
6-butoxy-4-methylquinoline-2-carbothioamide
CID 82574245
4-methoxy-2,8-dimethylquinoline-6-carbothioamide
CID 82574299
(6,8-dimethoxy-2-methylquinolin-3-yl)methanamine
CID 82242916

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-4-methylquinoline-2-carbothioamide?
The IUPAC name of 6,8-dimethoxy-4-methylquinoline-2-carbothioamide (CID 82574234) is 6,8-dimethoxy-4-methylquinoline-2-carbothioamide.
What is the SMILES notation for 6,8-dimethoxy-4-methylquinoline-2-carbothioamide?
The canonical SMILES for 6,8-dimethoxy-4-methylquinoline-2-carbothioamide is COc1cc(OC)c2nc(C(N)=S)cc(C)c2c1.
What is the InChIKey of 6,8-dimethoxy-4-methylquinoline-2-carbothioamide?
The InChIKey is QAYQAKWPNFQQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-7-4-10(13(14)18)15-12-9(7)5-8(16-2)6-11(12)17-3/h4-6H,1-3H3,(H2,14,18).
What are the key properties of 6,8-dimethoxy-4-methylquinoline-2-carbothioamide?
6,8-dimethoxy-4-methylquinoline-2-carbothioamide has a molecular weight of 262.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-4-methylquinoline-2-carbothioamide is sourced from PubChem (CID 82574234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).