2-(4-fluorophenyl)-6,7-dimethoxy-4-methylquinoline

C18H16FNO2 — CID 102444237

IUPAC2-(4-fluorophenyl)-6,7-dimethoxy-4-methylquinoline
SMILESCOc1cc2nc(-c3ccc(F)cc3)cc(C)c2cc1OC
InChIInChI=1S/C18H16FNO2/c1-11-8-15(12-4-6-13(19)7-5-12)20-16-10-18(22-3)17(21-2)9-14(11)16/h4-10H,1-3H3
InChIKeyRMXZGNJLGUZYGS-UHFFFAOYSA-N
MW297.33 g/mol
LogP4.37
Rot. Bonds3

About 2-(4-fluorophenyl)-6,7-dimethoxy-4-methylquinoline

2-(4-fluorophenyl)-6,7-dimethoxy-4-methylquinoline (PubChem CID 102444237) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6,7-dimethoxy-4-methylquinoline.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6,7-dimethoxy-4-methylquinoline
PubChem CID102444237
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name2-(4-fluorophenyl)-6,7-dimethoxy-4-methylquinoline
SMILESCOc1cc2nc(-c3ccc(F)cc3)cc(C)c2cc1OC
InChIInChI=1S/C18H16FNO2/c1-11-8-15(12-4-6-13(19)7-5-12)20-16-10-18(22-3)17(21-2)9-14(11)16/h4-10H,1-3H3
InChIKeyRMXZGNJLGUZYGS-UHFFFAOYSA-N
XLogP4.37
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6,7-dimethoxy-4-methylquinoline?
The IUPAC name of 2-(4-fluorophenyl)-6,7-dimethoxy-4-methylquinoline (CID 102444237) is 2-(4-fluorophenyl)-6,7-dimethoxy-4-methylquinoline.
What is the SMILES notation for 2-(4-fluorophenyl)-6,7-dimethoxy-4-methylquinoline?
The canonical SMILES for 2-(4-fluorophenyl)-6,7-dimethoxy-4-methylquinoline is COc1cc2nc(-c3ccc(F)cc3)cc(C)c2cc1OC.
What is the InChIKey of 2-(4-fluorophenyl)-6,7-dimethoxy-4-methylquinoline?
The InChIKey is RMXZGNJLGUZYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-11-8-15(12-4-6-13(19)7-5-12)20-16-10-18(22-3)17(21-2)9-14(11)16/h4-10H,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-6,7-dimethoxy-4-methylquinoline?
2-(4-fluorophenyl)-6,7-dimethoxy-4-methylquinoline has a molecular weight of 297.33 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6,7-dimethoxy-4-methylquinoline is sourced from PubChem (CID 102444237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).