3-methyl-2-[3-(3-methylquinolin-2-yl)phenyl]quinoline

C26H20N2 — CID 134841848

IUPAC3-methyl-2-[3-(3-methylquinolin-2-yl)phenyl]quinoline
SMILESCc1cc2ccccc2nc1-c1cccc(-c2nc3ccccc3cc2C)c1
InChIInChI=1S/C26H20N2/c1-17-14-19-8-3-5-12-23(19)27-25(17)21-10-7-11-22(16-21)26-18(2)15-20-9-4-6-13-24(20)28-26/h3-16H,1-2H3
InChIKeyMJOVKEATCARMJG-UHFFFAOYSA-N
MW360.46 g/mol
LogP6.73
Rot. Bonds2

About 3-methyl-2-[3-(3-methylquinolin-2-yl)phenyl]quinoline

3-methyl-2-[3-(3-methylquinolin-2-yl)phenyl]quinoline (PubChem CID 134841848) has the molecular formula C26H20N2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-methyl-2-[3-(3-methylquinolin-2-yl)phenyl]quinoline.

Molecular Properties

Compound Name3-methyl-2-[3-(3-methylquinolin-2-yl)phenyl]quinoline
PubChem CID134841848
Molecular FormulaC26H20N2
Molecular Weight360.46 g/mol
Exact Mass360.16
IUPAC Name3-methyl-2-[3-(3-methylquinolin-2-yl)phenyl]quinoline
SMILESCc1cc2ccccc2nc1-c1cccc(-c2nc3ccccc3cc2C)c1
InChIInChI=1S/C26H20N2/c1-17-14-19-8-3-5-12-23(19)27-25(17)21-10-7-11-22(16-21)26-18(2)15-20-9-4-6-13-24(20)28-26/h3-16H,1-2H3
InChIKeyMJOVKEATCARMJG-UHFFFAOYSA-N
XLogP6.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-(3-methylquinolin-2-yl)phenyl]quinoline?
The IUPAC name of 3-methyl-2-[3-(3-methylquinolin-2-yl)phenyl]quinoline (CID 134841848) is 3-methyl-2-[3-(3-methylquinolin-2-yl)phenyl]quinoline.
What is the SMILES notation for 3-methyl-2-[3-(3-methylquinolin-2-yl)phenyl]quinoline?
The canonical SMILES for 3-methyl-2-[3-(3-methylquinolin-2-yl)phenyl]quinoline is Cc1cc2ccccc2nc1-c1cccc(-c2nc3ccccc3cc2C)c1.
What is the InChIKey of 3-methyl-2-[3-(3-methylquinolin-2-yl)phenyl]quinoline?
The InChIKey is MJOVKEATCARMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2/c1-17-14-19-8-3-5-12-23(19)27-25(17)21-10-7-11-22(16-21)26-18(2)15-20-9-4-6-13-24(20)28-26/h3-16H,1-2H3.
What are the key properties of 3-methyl-2-[3-(3-methylquinolin-2-yl)phenyl]quinoline?
3-methyl-2-[3-(3-methylquinolin-2-yl)phenyl]quinoline has a molecular weight of 360.46 g/mol, XLogP of 6.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-(3-methylquinolin-2-yl)phenyl]quinoline is sourced from PubChem (CID 134841848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).