5-[(5-fluoro-2-methylphenoxy)methyl]-6-(2-methoxy-4-propoxyphenyl)-2,2,4-trimethyl-1H-quinoline

C30H34FNO3 — CID 69038538

IUPAC5-[(5-fluoro-2-methylphenoxy)methyl]-6-(2-methoxy-4-propoxyphenyl)-2,2,4-trimethyl-1H-quinoline
SMILESCCCOc1ccc(-c2ccc3c(c2COc2cc(F)ccc2C)C(C)=CC(C)(C)N3)c(OC)c1
InChIInChI=1S/C30H34FNO3/c1-7-14-34-22-10-11-24(28(16-22)33-6)23-12-13-26-29(20(3)17-30(4,5)32-26)25(23)18-35-27-15-21(31)9-8-19(27)2/h8-13,15-17,32H,7,14,18H2,1-6H3
InChIKeyFMAOEPSSZWHGDF-UHFFFAOYSA-N
MW475.60 g/mol
LogP7.78
Rot. Bonds8

About 5-[(5-fluoro-2-methylphenoxy)methyl]-6-(2-methoxy-4-propoxyphenyl)-2,2,4-trimethyl-1H-quinoline

5-[(5-fluoro-2-methylphenoxy)methyl]-6-(2-methoxy-4-propoxyphenyl)-2,2,4-trimethyl-1H-quinoline (PubChem CID 69038538) has the molecular formula C30H34FNO3 and a molecular weight of 475.60 g/mol. Its IUPAC name is 5-[(5-fluoro-2-methylphenoxy)methyl]-6-(2-methoxy-4-propoxyphenyl)-2,2,4-trimethyl-1H-quinoline.

Molecular Properties

Compound Name5-[(5-fluoro-2-methylphenoxy)methyl]-6-(2-methoxy-4-propoxyphenyl)-2,2,4-trimethyl-1H-quinoline
PubChem CID69038538
Molecular FormulaC30H34FNO3
Molecular Weight475.60 g/mol
Exact Mass475.25
IUPAC Name5-[(5-fluoro-2-methylphenoxy)methyl]-6-(2-methoxy-4-propoxyphenyl)-2,2,4-trimethyl-1H-quinoline
SMILESCCCOc1ccc(-c2ccc3c(c2COc2cc(F)ccc2C)C(C)=CC(C)(C)N3)c(OC)c1
InChIInChI=1S/C30H34FNO3/c1-7-14-34-22-10-11-24(28(16-22)33-6)23-12-13-26-29(20(3)17-30(4,5)32-26)25(23)18-35-27-15-21(31)9-8-19(27)2/h8-13,15-17,32H,7,14,18H2,1-6H3
InChIKeyFMAOEPSSZWHGDF-UHFFFAOYSA-N
XLogP7.78
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.60
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2-methylphenoxy)methyl]-6-(2-methoxy-4-propoxyphenyl)-2,2,4-trimethyl-1H-quinoline?
The IUPAC name of 5-[(5-fluoro-2-methylphenoxy)methyl]-6-(2-methoxy-4-propoxyphenyl)-2,2,4-trimethyl-1H-quinoline (CID 69038538) is 5-[(5-fluoro-2-methylphenoxy)methyl]-6-(2-methoxy-4-propoxyphenyl)-2,2,4-trimethyl-1H-quinoline.
What is the SMILES notation for 5-[(5-fluoro-2-methylphenoxy)methyl]-6-(2-methoxy-4-propoxyphenyl)-2,2,4-trimethyl-1H-quinoline?
The canonical SMILES for 5-[(5-fluoro-2-methylphenoxy)methyl]-6-(2-methoxy-4-propoxyphenyl)-2,2,4-trimethyl-1H-quinoline is CCCOc1ccc(-c2ccc3c(c2COc2cc(F)ccc2C)C(C)=CC(C)(C)N3)c(OC)c1.
What is the InChIKey of 5-[(5-fluoro-2-methylphenoxy)methyl]-6-(2-methoxy-4-propoxyphenyl)-2,2,4-trimethyl-1H-quinoline?
The InChIKey is FMAOEPSSZWHGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FNO3/c1-7-14-34-22-10-11-24(28(16-22)33-6)23-12-13-26-29(20(3)17-30(4,5)32-26)25(23)18-35-27-15-21(31)9-8-19(27)2/h8-13,15-17,32H,7,14,18H2,1-6H3.
What are the key properties of 5-[(5-fluoro-2-methylphenoxy)methyl]-6-(2-methoxy-4-propoxyphenyl)-2,2,4-trimethyl-1H-quinoline?
5-[(5-fluoro-2-methylphenoxy)methyl]-6-(2-methoxy-4-propoxyphenyl)-2,2,4-trimethyl-1H-quinoline has a molecular weight of 475.60 g/mol, XLogP of 7.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2-methylphenoxy)methyl]-6-(2-methoxy-4-propoxyphenyl)-2,2,4-trimethyl-1H-quinoline is sourced from PubChem (CID 69038538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).