6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-propylphenoxy)methyl]-1H-quinoline

C29H32FNO2 — CID 58026975

IUPAC6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-propylphenoxy)methyl]-1H-quinoline
SMILESCCCc1ccccc1OCc1c(-c2ccc(F)cc2OC)ccc2c1C(C)=CC(C)(C)N2
InChIInChI=1S/C29H32FNO2/c1-6-9-20-10-7-8-11-26(20)33-18-24-22(23-13-12-21(30)16-27(23)32-5)14-15-25-28(24)19(2)17-29(3,4)31-25/h7-8,10-17,31H,6,9,18H2,1-5H3
InChIKeyCVKYREGUHGAEDF-UHFFFAOYSA-N
MW445.58 g/mol
LogP7.64
Rot. Bonds7

About 6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-propylphenoxy)methyl]-1H-quinoline

6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-propylphenoxy)methyl]-1H-quinoline (PubChem CID 58026975) has the molecular formula C29H32FNO2 and a molecular weight of 445.58 g/mol. Its IUPAC name is 6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-propylphenoxy)methyl]-1H-quinoline.

Molecular Properties

Compound Name6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-propylphenoxy)methyl]-1H-quinoline
PubChem CID58026975
Molecular FormulaC29H32FNO2
Molecular Weight445.58 g/mol
Exact Mass445.24
IUPAC Name6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-propylphenoxy)methyl]-1H-quinoline
SMILESCCCc1ccccc1OCc1c(-c2ccc(F)cc2OC)ccc2c1C(C)=CC(C)(C)N2
InChIInChI=1S/C29H32FNO2/c1-6-9-20-10-7-8-11-26(20)33-18-24-22(23-13-12-21(30)16-27(23)32-5)14-15-25-28(24)19(2)17-29(3,4)31-25/h7-8,10-17,31H,6,9,18H2,1-5H3
InChIKeyCVKYREGUHGAEDF-UHFFFAOYSA-N
XLogP7.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.58
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-propylphenoxy)methyl]-1H-quinoline with MolForge

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Related Compounds

(5Z)-2,2,4-trimethyl-5-[(2-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline
CID 9951771
10-methoxy-5-(2-propenyl)-2,5-dihydro-2,2,4-trimethyl-1H-(1)benzopyrano(3,4-f)quinoline
CID 9906282
6-(2-methoxyphenyl)-2,2-dimethyl-4-{1-[(2E)-pent-2-en-1-yloxy]ethyl}-1,2-dihydroquinoline
CID 9999671
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)propyl]-1,2-dihydroquinoline
CID 10021634
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[2-methyl-1-(prop-2-en-1-yloxy)propyl]-1,2-dihydroquinoline
CID 10068183
4-[1-(2-Cyclohexylethoxy)ethyl]-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
CID 10070722
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[3-phenyl-1-(prop-2-en-1-yloxy)propyl]-1,2-dihydroquinoline
CID 10071910
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)ethyl]-1,2-dihydroquinoline
CID 10247253
4-{1-[(2E)-but-2-en-1-yloxy]ethyl}-6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinoline
CID 10316670
6-(2-methoxyphenyl)-2,2-dimethyl-4-(1-{[(2E)-3-phenylprop-2-en-1-yl]oxy}ethyl)-1,2-dihydroquinoline
CID 10342379
6-(2-Methoxyphenyl)-2,2-dimethyl-4-[1-(prop-2-en-1-yloxy)but-3-en-1-yl]-1,2-dihydroquinoline
CID 10362131
6-(5-Fluoro-2-methoxyphenyl)-2,2-dimethyl-4-phenethylsulfanylmethyl-1,2-dihydroquinoline
CID 10365592

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-propylphenoxy)methyl]-1H-quinoline?
The IUPAC name of 6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-propylphenoxy)methyl]-1H-quinoline (CID 58026975) is 6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-propylphenoxy)methyl]-1H-quinoline.
What is the SMILES notation for 6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-propylphenoxy)methyl]-1H-quinoline?
The canonical SMILES for 6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-propylphenoxy)methyl]-1H-quinoline is CCCc1ccccc1OCc1c(-c2ccc(F)cc2OC)ccc2c1C(C)=CC(C)(C)N2.
What is the InChIKey of 6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-propylphenoxy)methyl]-1H-quinoline?
The InChIKey is CVKYREGUHGAEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FNO2/c1-6-9-20-10-7-8-11-26(20)33-18-24-22(23-13-12-21(30)16-27(23)32-5)14-15-25-28(24)19(2)17-29(3,4)31-25/h7-8,10-17,31H,6,9,18H2,1-5H3.
What are the key properties of 6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-propylphenoxy)methyl]-1H-quinoline?
6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-propylphenoxy)methyl]-1H-quinoline has a molecular weight of 445.58 g/mol, XLogP of 7.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-propylphenoxy)methyl]-1H-quinoline is sourced from PubChem (CID 58026975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).