6-methoxy-2-(6-octoxynaphthalen-2-yl)quinoline

C28H31NO2 — CID 122228076

IUPAC6-methoxy-2-(6-octoxynaphthalen-2-yl)quinoline
SMILESCCCCCCCCOc1ccc2cc(-c3ccc4cc(OC)ccc4n3)ccc2c1
InChIInChI=1S/C28H31NO2/c1-3-4-5-6-7-8-17-31-26-13-11-21-18-23(10-9-22(21)19-26)27-15-12-24-20-25(30-2)14-16-28(24)29-27/h9-16,18-20H,3-8,17H2,1-2H3
InChIKeyOHYHIUVDQGJOGV-UHFFFAOYSA-N
MW413.56 g/mol
LogP7.80
Rot. Bonds10

About 6-methoxy-2-(6-octoxynaphthalen-2-yl)quinoline

6-methoxy-2-(6-octoxynaphthalen-2-yl)quinoline (PubChem CID 122228076) has the molecular formula C28H31NO2 and a molecular weight of 413.56 g/mol. Its IUPAC name is 6-methoxy-2-(6-octoxynaphthalen-2-yl)quinoline.

Molecular Properties

Compound Name6-methoxy-2-(6-octoxynaphthalen-2-yl)quinoline
PubChem CID122228076
Molecular FormulaC28H31NO2
Molecular Weight413.56 g/mol
Exact Mass413.24
IUPAC Name6-methoxy-2-(6-octoxynaphthalen-2-yl)quinoline
SMILESCCCCCCCCOc1ccc2cc(-c3ccc4cc(OC)ccc4n3)ccc2c1
InChIInChI=1S/C28H31NO2/c1-3-4-5-6-7-8-17-31-26-13-11-21-18-23(10-9-22(21)19-26)27-15-12-24-20-25(30-2)14-16-28(24)29-27/h9-16,18-20H,3-8,17H2,1-2H3
InChIKeyOHYHIUVDQGJOGV-UHFFFAOYSA-N
XLogP7.80
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-2-(4-propoxyphenyl)quinoline
CID 102441525
2-(4-decoxyphenyl)-6-octylquinoline
CID 67893738
2-decoxy-6-(4-pentoxyphenyl)naphthalene
CID 22676996
2,6-bis(6-hexoxynaphthalen-2-yl)anthracene
CID 102033937
1-methoxy-4-tetradecoxybenzene
CID 91712423
5-(6-decoxynaphthalen-2-yl)-2-hexyl-1,3-thiazole
CID 23354778
6-tridecoxyquinoline
CID 174908858
4-(6-methoxyquinolin-2-yl)-N-methylaniline
CID 46931568
2-(3,5-dimethylphenyl)-6-methoxyquinoline
CID 58871188
3-hexoxyacridine
CID 141299786
2-heptoxy-6-[2-(4-methoxyphenyl)ethynyl]naphthalene
CID 19912629
5-bromo-2-(6-decoxynaphthalen-2-yl)pyrimidine
CID 139665367

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(6-octoxynaphthalen-2-yl)quinoline?
The IUPAC name of 6-methoxy-2-(6-octoxynaphthalen-2-yl)quinoline (CID 122228076) is 6-methoxy-2-(6-octoxynaphthalen-2-yl)quinoline.
What is the SMILES notation for 6-methoxy-2-(6-octoxynaphthalen-2-yl)quinoline?
The canonical SMILES for 6-methoxy-2-(6-octoxynaphthalen-2-yl)quinoline is CCCCCCCCOc1ccc2cc(-c3ccc4cc(OC)ccc4n3)ccc2c1.
What is the InChIKey of 6-methoxy-2-(6-octoxynaphthalen-2-yl)quinoline?
The InChIKey is OHYHIUVDQGJOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO2/c1-3-4-5-6-7-8-17-31-26-13-11-21-18-23(10-9-22(21)19-26)27-15-12-24-20-25(30-2)14-16-28(24)29-27/h9-16,18-20H,3-8,17H2,1-2H3.
What are the key properties of 6-methoxy-2-(6-octoxynaphthalen-2-yl)quinoline?
6-methoxy-2-(6-octoxynaphthalen-2-yl)quinoline has a molecular weight of 413.56 g/mol, XLogP of 7.80, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(6-octoxynaphthalen-2-yl)quinoline is sourced from PubChem (CID 122228076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).