1-methylquinolin-1-ium-7-ol

C10H10NO+ — CID 765302

IUPAC1-methylquinolin-1-ium-7-ol
SMILESC[n+]1cccc2ccc(O)cc21
InChIInChI=1S/C10H9NO/c1-11-6-2-3-8-4-5-9(12)7-10(8)11/h2-7H,1H3/p+1
InChIKeyCLWHNSXKDOCYJS-UHFFFAOYSA-O
MW160.20 g/mol
LogP1.37
Rot. Bonds

About 1-methylquinolin-1-ium-7-ol

1-methylquinolin-1-ium-7-ol (PubChem CID 765302) has the molecular formula C10H10NO+ and a molecular weight of 160.20 g/mol. Its IUPAC name is 1-methylquinolin-1-ium-7-ol.

Molecular Properties

Compound Name1-methylquinolin-1-ium-7-ol
PubChem CID765302
Molecular FormulaC10H10NO+
Molecular Weight160.20 g/mol
Exact Mass160.08
IUPAC Name1-methylquinolin-1-ium-7-ol
SMILESC[n+]1cccc2ccc(O)cc21
InChIInChI=1S/C10H9NO/c1-11-6-2-3-8-4-5-9(12)7-10(8)11/h2-7H,1H3/p+1
InChIKeyCLWHNSXKDOCYJS-UHFFFAOYSA-O
XLogP1.37
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methylquinolin-1-ium-7-ol?
The IUPAC name of 1-methylquinolin-1-ium-7-ol (CID 765302) is 1-methylquinolin-1-ium-7-ol.
What is the SMILES notation for 1-methylquinolin-1-ium-7-ol?
The canonical SMILES for 1-methylquinolin-1-ium-7-ol is C[n+]1cccc2ccc(O)cc21.
What is the InChIKey of 1-methylquinolin-1-ium-7-ol?
The InChIKey is CLWHNSXKDOCYJS-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H9NO/c1-11-6-2-3-8-4-5-9(12)7-10(8)11/h2-7H,1H3/p+1.
What are the key properties of 1-methylquinolin-1-ium-7-ol?
1-methylquinolin-1-ium-7-ol has a molecular weight of 160.20 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylquinolin-1-ium-7-ol is sourced from PubChem (CID 765302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).