7-phenylmethoxyquinoline

C16H13NO — CID 3035604

IUPAC7-phenylmethoxyquinoline
SMILESc1ccc(COc2ccc3cccnc3c2)cc1
InChIInChI=1S/C16H13NO/c1-2-5-13(6-3-1)12-18-15-9-8-14-7-4-10-17-16(14)11-15/h1-11H,12H2
InChIKeySIDLHXXVIBTSJZ-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.81
Rot. Bonds3

About 7-phenylmethoxyquinoline

7-phenylmethoxyquinoline (PubChem CID 3035604) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 7-phenylmethoxyquinoline.

Molecular Properties

Compound Name7-phenylmethoxyquinoline
PubChem CID3035604
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name7-phenylmethoxyquinoline
SMILESc1ccc(COc2ccc3cccnc3c2)cc1
InChIInChI=1S/C16H13NO/c1-2-5-13(6-3-1)12-18-15-9-8-14-7-4-10-17-16(14)11-15/h1-11H,12H2
InChIKeySIDLHXXVIBTSJZ-UHFFFAOYSA-N
XLogP3.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-phenylmethoxyquinoline?
The IUPAC name of 7-phenylmethoxyquinoline (CID 3035604) is 7-phenylmethoxyquinoline.
What is the SMILES notation for 7-phenylmethoxyquinoline?
The canonical SMILES for 7-phenylmethoxyquinoline is c1ccc(COc2ccc3cccnc3c2)cc1.
What is the InChIKey of 7-phenylmethoxyquinoline?
The InChIKey is SIDLHXXVIBTSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-2-5-13(6-3-1)12-18-15-9-8-14-7-4-10-17-16(14)11-15/h1-11H,12H2.
What are the key properties of 7-phenylmethoxyquinoline?
7-phenylmethoxyquinoline has a molecular weight of 235.29 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylmethoxyquinoline is sourced from PubChem (CID 3035604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).