2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline

C28H18N2 — CID 176883836

IUPAC2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
SMILESc1ccc2nc(-c3ccc4ccc(-c5ccc6ccccc6n5)cc4c3)ccc2c1
InChIInChI=1S/C28H18N2/c1-3-7-25-20(5-1)13-15-27(29-25)22-11-9-19-10-12-23(18-24(19)17-22)28-16-14-21-6-2-4-8-26(21)30-28/h1-18H
InChIKeyQQAKTFJZAIAKFL-UHFFFAOYSA-N
MW382.47 g/mol
LogP7.27
Rot. Bonds2

About 2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline

2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline (PubChem CID 176883836) has the molecular formula C28H18N2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline.

Molecular Properties

Compound Name2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
PubChem CID176883836
Molecular FormulaC28H18N2
Molecular Weight382.47 g/mol
Exact Mass382.15
IUPAC Name2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
SMILESc1ccc2nc(-c3ccc4ccc(-c5ccc6ccccc6n5)cc4c3)ccc2c1
InChIInChI=1S/C28H18N2/c1-3-7-25-20(5-1)13-15-27(29-25)22-11-9-19-10-12-23(18-24(19)17-22)28-16-14-21-6-2-4-8-26(21)30-28/h1-18H
InChIKeyQQAKTFJZAIAKFL-UHFFFAOYSA-N
XLogP7.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline?
The IUPAC name of 2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline (CID 176883836) is 2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline.
What is the SMILES notation for 2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline?
The canonical SMILES for 2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline is c1ccc2nc(-c3ccc4ccc(-c5ccc6ccccc6n5)cc4c3)ccc2c1.
What is the InChIKey of 2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline?
The InChIKey is QQAKTFJZAIAKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2/c1-3-7-25-20(5-1)13-15-27(29-25)22-11-9-19-10-12-23(18-24(19)17-22)28-16-14-21-6-2-4-8-26(21)30-28/h1-18H.
What are the key properties of 2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline?
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline has a molecular weight of 382.47 g/mol, XLogP of 7.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline is sourced from PubChem (CID 176883836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).