5-[(2-ethylphenyl)methyl]-9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol

C28H28FNO2 — CID 10950039

IUPAC5-[(2-ethylphenyl)methyl]-9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol
SMILESCCc1ccccc1CC1(O)Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C28H28FNO2/c1-5-18-8-6-7-9-19(18)16-28(31)26-21(22-14-20(29)10-13-24(22)32-28)11-12-23-25(26)17(2)15-27(3,4)30-23/h6-15,30-31H,5,16H2,1-4H3
InChIKeyDPEIMGKFULOVEQ-UHFFFAOYSA-N
MW429.54 g/mol
LogP6.44
Rot. Bonds3

About 5-[(2-ethylphenyl)methyl]-9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol

5-[(2-ethylphenyl)methyl]-9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol (PubChem CID 10950039) has the molecular formula C28H28FNO2 and a molecular weight of 429.54 g/mol. Its IUPAC name is 5-[(2-ethylphenyl)methyl]-9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol.

Molecular Properties

Compound Name5-[(2-ethylphenyl)methyl]-9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol
PubChem CID10950039
Molecular FormulaC28H28FNO2
Molecular Weight429.54 g/mol
Exact Mass429.21
IUPAC Name5-[(2-ethylphenyl)methyl]-9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol
SMILESCCc1ccccc1CC1(O)Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3
InChIInChI=1S/C28H28FNO2/c1-5-18-8-6-7-9-19(18)16-28(31)26-21(22-14-20(29)10-13-24(22)32-28)11-12-23-25(26)17(2)15-27(3,4)30-23/h6-15,30-31H,5,16H2,1-4H3
InChIKeyDPEIMGKFULOVEQ-UHFFFAOYSA-N
XLogP6.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.54
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(2-ethylphenyl)methyl]-9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-benzyl-7-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol
CID 11003921
(5Z)-9-fluoro-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline
CID 59971100
9-fluoro-2,2,4-trimethyl-5-[(3-methylphenyl)methylidene]-1H-chromeno[3,4-f]quinoline
CID 72610345
5-(3-ethylcyclohex-2-en-1-yl)-9-fluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 10341139
2-[2-[[6-(5-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methoxy]phenyl]ethanol
CID 58027183
8-fluoro-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-ol
CID 54332276
[5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol;[5-[(4-fluorophenyl)methyl]-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-10-yl]methanol
CID 167629542
[6-(4-fluorophenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methanol
CID 58026939
[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methyl 2-(2-hydroxyphenyl)acetate
CID 58027145
6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-propylphenoxy)methyl]-1H-quinoline
CID 58026975
[6-(2-ethoxy-4-fluorophenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methanol
CID 58027131
6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-methylphenoxy)methyl]-1H-quinoline
CID 16660318

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylphenyl)methyl]-9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol?
The IUPAC name of 5-[(2-ethylphenyl)methyl]-9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol (CID 10950039) is 5-[(2-ethylphenyl)methyl]-9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol.
What is the SMILES notation for 5-[(2-ethylphenyl)methyl]-9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol?
The canonical SMILES for 5-[(2-ethylphenyl)methyl]-9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol is CCc1ccccc1CC1(O)Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3.
What is the InChIKey of 5-[(2-ethylphenyl)methyl]-9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol?
The InChIKey is DPEIMGKFULOVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FNO2/c1-5-18-8-6-7-9-19(18)16-28(31)26-21(22-14-20(29)10-13-24(22)32-28)11-12-23-25(26)17(2)15-27(3,4)30-23/h6-15,30-31H,5,16H2,1-4H3.
What are the key properties of 5-[(2-ethylphenyl)methyl]-9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol?
5-[(2-ethylphenyl)methyl]-9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol has a molecular weight of 429.54 g/mol, XLogP of 6.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylphenyl)methyl]-9-fluoro-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-5-ol is sourced from PubChem (CID 10950039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).