7-methyl-3-(1-methylquinolin-1-ium-2-yl)quinoline

C20H17N2+ — CID 58695134

IUPAC7-methyl-3-(1-methylquinolin-1-ium-2-yl)quinoline
SMILESCc1ccc2cc(-c3ccc4ccccc4[n+]3C)cnc2c1
InChIInChI=1S/C20H17N2/c1-14-7-8-16-12-17(13-21-18(16)11-14)20-10-9-15-5-3-4-6-19(15)22(20)2/h3-13H,1-2H3/q+1
InChIKeyKXWLCTVROWRTTG-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.19
Rot. Bonds1

About 7-methyl-3-(1-methylquinolin-1-ium-2-yl)quinoline

7-methyl-3-(1-methylquinolin-1-ium-2-yl)quinoline (PubChem CID 58695134) has the molecular formula C20H17N2+ and a molecular weight of 285.37 g/mol. Its IUPAC name is 7-methyl-3-(1-methylquinolin-1-ium-2-yl)quinoline.

Molecular Properties

Compound Name7-methyl-3-(1-methylquinolin-1-ium-2-yl)quinoline
PubChem CID58695134
Molecular FormulaC20H17N2+
Molecular Weight285.37 g/mol
Exact Mass285.14
IUPAC Name7-methyl-3-(1-methylquinolin-1-ium-2-yl)quinoline
SMILESCc1ccc2cc(-c3ccc4ccccc4[n+]3C)cnc2c1
InChIInChI=1S/C20H17N2/c1-14-7-8-16-12-17(13-21-18(16)11-14)20-10-9-15-5-3-4-6-19(15)22(20)2/h3-13H,1-2H3/q+1
InChIKeyKXWLCTVROWRTTG-UHFFFAOYSA-N
XLogP4.19
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(1-methylquinolin-1-ium-2-yl)quinoline?
The IUPAC name of 7-methyl-3-(1-methylquinolin-1-ium-2-yl)quinoline (CID 58695134) is 7-methyl-3-(1-methylquinolin-1-ium-2-yl)quinoline.
What is the SMILES notation for 7-methyl-3-(1-methylquinolin-1-ium-2-yl)quinoline?
The canonical SMILES for 7-methyl-3-(1-methylquinolin-1-ium-2-yl)quinoline is Cc1ccc2cc(-c3ccc4ccccc4[n+]3C)cnc2c1.
What is the InChIKey of 7-methyl-3-(1-methylquinolin-1-ium-2-yl)quinoline?
The InChIKey is KXWLCTVROWRTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N2/c1-14-7-8-16-12-17(13-21-18(16)11-14)20-10-9-15-5-3-4-6-19(15)22(20)2/h3-13H,1-2H3/q+1.
What are the key properties of 7-methyl-3-(1-methylquinolin-1-ium-2-yl)quinoline?
7-methyl-3-(1-methylquinolin-1-ium-2-yl)quinoline has a molecular weight of 285.37 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(1-methylquinolin-1-ium-2-yl)quinoline is sourced from PubChem (CID 58695134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).