4-cyclooctyloxy-7-methylquinoline

C18H23NO — CID 134333787

IUPAC4-cyclooctyloxy-7-methylquinoline
SMILESCc1ccc2c(OC3CCCCCCC3)ccnc2c1
InChIInChI=1S/C18H23NO/c1-14-9-10-16-17(13-14)19-12-11-18(16)20-15-7-5-3-2-4-6-8-15/h9-13,15H,2-8H2,1H3
InChIKeyCLJLVZYCZKJUGQ-UHFFFAOYSA-N
MW269.39 g/mol
LogP5.03
Rot. Bonds2

About 4-cyclooctyloxy-7-methylquinoline

4-cyclooctyloxy-7-methylquinoline (PubChem CID 134333787) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-cyclooctyloxy-7-methylquinoline.

Molecular Properties

Compound Name4-cyclooctyloxy-7-methylquinoline
PubChem CID134333787
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-cyclooctyloxy-7-methylquinoline
SMILESCc1ccc2c(OC3CCCCCCC3)ccnc2c1
InChIInChI=1S/C18H23NO/c1-14-9-10-16-17(13-14)19-12-11-18(16)20-15-7-5-3-2-4-6-8-15/h9-13,15H,2-8H2,1H3
InChIKeyCLJLVZYCZKJUGQ-UHFFFAOYSA-N
XLogP5.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.39
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclooctyloxy-7-methylquinoline?
The IUPAC name of 4-cyclooctyloxy-7-methylquinoline (CID 134333787) is 4-cyclooctyloxy-7-methylquinoline.
What is the SMILES notation for 4-cyclooctyloxy-7-methylquinoline?
The canonical SMILES for 4-cyclooctyloxy-7-methylquinoline is Cc1ccc2c(OC3CCCCCCC3)ccnc2c1.
What is the InChIKey of 4-cyclooctyloxy-7-methylquinoline?
The InChIKey is CLJLVZYCZKJUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14-9-10-16-17(13-14)19-12-11-18(16)20-15-7-5-3-2-4-6-8-15/h9-13,15H,2-8H2,1H3.
What are the key properties of 4-cyclooctyloxy-7-methylquinoline?
4-cyclooctyloxy-7-methylquinoline has a molecular weight of 269.39 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclooctyloxy-7-methylquinoline is sourced from PubChem (CID 134333787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).