3-[(3-methoxyphenyl)methoxy]-2-methylquinoline

C18H17NO2 — CID 3833793

IUPAC3-[(3-methoxyphenyl)methoxy]-2-methylquinoline
SMILESCOc1cccc(COc2cc3ccccc3nc2C)c1
InChIInChI=1S/C18H17NO2/c1-13-18(11-15-7-3-4-9-17(15)19-13)21-12-14-6-5-8-16(10-14)20-2/h3-11H,12H2,1-2H3
InChIKeyNJLNYZZYHBAOGR-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.13
Rot. Bonds4

About 3-[(3-methoxyphenyl)methoxy]-2-methylquinoline

3-[(3-methoxyphenyl)methoxy]-2-methylquinoline (PubChem CID 3833793) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methoxy]-2-methylquinoline.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methoxy]-2-methylquinoline
PubChem CID3833793
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name3-[(3-methoxyphenyl)methoxy]-2-methylquinoline
SMILESCOc1cccc(COc2cc3ccccc3nc2C)c1
InChIInChI=1S/C18H17NO2/c1-13-18(11-15-7-3-4-9-17(15)19-13)21-12-14-6-5-8-16(10-14)20-2/h3-11H,12H2,1-2H3
InChIKeyNJLNYZZYHBAOGR-UHFFFAOYSA-N
XLogP4.13
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methoxy]-2-methylquinoline?
The IUPAC name of 3-[(3-methoxyphenyl)methoxy]-2-methylquinoline (CID 3833793) is 3-[(3-methoxyphenyl)methoxy]-2-methylquinoline.
What is the SMILES notation for 3-[(3-methoxyphenyl)methoxy]-2-methylquinoline?
The canonical SMILES for 3-[(3-methoxyphenyl)methoxy]-2-methylquinoline is COc1cccc(COc2cc3ccccc3nc2C)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methoxy]-2-methylquinoline?
The InChIKey is NJLNYZZYHBAOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13-18(11-15-7-3-4-9-17(15)19-13)21-12-14-6-5-8-16(10-14)20-2/h3-11H,12H2,1-2H3.
What are the key properties of 3-[(3-methoxyphenyl)methoxy]-2-methylquinoline?
3-[(3-methoxyphenyl)methoxy]-2-methylquinoline has a molecular weight of 279.34 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methoxy]-2-methylquinoline is sourced from PubChem (CID 3833793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).