6-methylquinoline-5,7,8-triol

C10H9NO3 — CID 137159814

IUPAC6-methylquinoline-5,7,8-triol
SMILESCc1c(O)c(O)c2ncccc2c1O
InChIInChI=1S/C10H9NO3/c1-5-8(12)6-3-2-4-11-7(6)10(14)9(5)13/h2-4,12-14H,1H3
InChIKeyRMVBHSBPHLGZRJ-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.66
Rot. Bonds

About 6-methylquinoline-5,7,8-triol

6-methylquinoline-5,7,8-triol (PubChem CID 137159814) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 6-methylquinoline-5,7,8-triol.

Molecular Properties

Compound Name6-methylquinoline-5,7,8-triol
PubChem CID137159814
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name6-methylquinoline-5,7,8-triol
SMILESCc1c(O)c(O)c2ncccc2c1O
InChIInChI=1S/C10H9NO3/c1-5-8(12)6-3-2-4-11-7(6)10(14)9(5)13/h2-4,12-14H,1H3
InChIKeyRMVBHSBPHLGZRJ-UHFFFAOYSA-N
XLogP1.66
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5,7-diamino-6-methylquinolin-8-ol
CID 23063822
5,7-dimethylquinolin-8-ol
CID 118341298
7-fluoro-5-methylquinolin-8-ol
CID 59613713
6-nitroso-1,10-phenanthrolin-5-ol
CID 135721654
5,6-dimethyl-1,7-phenanthroline
CID 67494959
8-hydroxy-6-methyl-5-[methyl(methylsulfanyl)amino]quinoline-7-carbaldehyde
CID 143584291
8-hydroxy-5-methyl-1,6-naphthyridine-7-carboxamide
CID 20750074
8-hydroxy-5-methylquinoline-7-carboxamide
CID 21271433
[(1R,2R)-2-azanidylcyclohexyl]azanide;5,6-dimethyl-1,10-phenanthroline;platinum(2+)
CID 44626415
5,7-dichloroquinolin-8-ol;nickel
CID 175096460
4-hydroxy-1,3-dimethyl-1,8-naphthyridin-2-one
CID 54702806
2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline
CID 11425448

Frequently Asked Questions

What is the IUPAC name of 6-methylquinoline-5,7,8-triol?
The IUPAC name of 6-methylquinoline-5,7,8-triol (CID 137159814) is 6-methylquinoline-5,7,8-triol.
What is the SMILES notation for 6-methylquinoline-5,7,8-triol?
The canonical SMILES for 6-methylquinoline-5,7,8-triol is Cc1c(O)c(O)c2ncccc2c1O.
What is the InChIKey of 6-methylquinoline-5,7,8-triol?
The InChIKey is RMVBHSBPHLGZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-5-8(12)6-3-2-4-11-7(6)10(14)9(5)13/h2-4,12-14H,1H3.
What are the key properties of 6-methylquinoline-5,7,8-triol?
6-methylquinoline-5,7,8-triol has a molecular weight of 191.19 g/mol, XLogP of 1.66, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylquinoline-5,7,8-triol is sourced from PubChem (CID 137159814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).