2-cycloheptyl-6-cyclooctyl-1,8-naphthyridine

C23H32N2 — CID 170013133

IUPAC2-cycloheptyl-6-cyclooctyl-1,8-naphthyridine
SMILESc1nc2nc(C3CCCCCC3)ccc2cc1C1CCCCCCC1
InChIInChI=1S/C23H32N2/c1-2-6-10-18(11-7-3-1)21-16-20-14-15-22(25-23(20)24-17-21)19-12-8-4-5-9-13-19/h14-19H,1-13H2
InChIKeyZJMGMRXXQHBWLN-UHFFFAOYSA-N
MW336.52 g/mol
LogP6.90
Rot. Bonds2

About 2-cycloheptyl-6-cyclooctyl-1,8-naphthyridine

2-cycloheptyl-6-cyclooctyl-1,8-naphthyridine (PubChem CID 170013133) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 2-cycloheptyl-6-cyclooctyl-1,8-naphthyridine.

Molecular Properties

Compound Name2-cycloheptyl-6-cyclooctyl-1,8-naphthyridine
PubChem CID170013133
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC Name2-cycloheptyl-6-cyclooctyl-1,8-naphthyridine
SMILESc1nc2nc(C3CCCCCC3)ccc2cc1C1CCCCCCC1
InChIInChI=1S/C23H32N2/c1-2-6-10-18(11-7-3-1)21-16-20-14-15-22(25-23(20)24-17-21)19-12-8-4-5-9-13-19/h14-19H,1-13H2
InChIKeyZJMGMRXXQHBWLN-UHFFFAOYSA-N
XLogP6.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-6-cyclooctyl-1,8-naphthyridine?
The IUPAC name of 2-cycloheptyl-6-cyclooctyl-1,8-naphthyridine (CID 170013133) is 2-cycloheptyl-6-cyclooctyl-1,8-naphthyridine.
What is the SMILES notation for 2-cycloheptyl-6-cyclooctyl-1,8-naphthyridine?
The canonical SMILES for 2-cycloheptyl-6-cyclooctyl-1,8-naphthyridine is c1nc2nc(C3CCCCCC3)ccc2cc1C1CCCCCCC1.
What is the InChIKey of 2-cycloheptyl-6-cyclooctyl-1,8-naphthyridine?
The InChIKey is ZJMGMRXXQHBWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2/c1-2-6-10-18(11-7-3-1)21-16-20-14-15-22(25-23(20)24-17-21)19-12-8-4-5-9-13-19/h14-19H,1-13H2.
What are the key properties of 2-cycloheptyl-6-cyclooctyl-1,8-naphthyridine?
2-cycloheptyl-6-cyclooctyl-1,8-naphthyridine has a molecular weight of 336.52 g/mol, XLogP of 6.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-6-cyclooctyl-1,8-naphthyridine is sourced from PubChem (CID 170013133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).