5-[3,5-bis(trifluoromethyl)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol

C28H23F6NO3 — CID 10239588

IUPAC5-[3,5-bis(trifluoromethyl)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
SMILESCOc1c(O)ccc2c1-c1ccc3c(c1C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C28H23F6NO3/c1-13-12-26(2,3)35-18-6-5-17-22-20(8-7-19(36)25(22)37-4)38-24(23(17)21(13)18)14-9-15(27(29,30)31)11-16(10-14)28(32,33)34/h5-12,24,35-36H,1-4H3
InChIKeyOUTGZESUFRNNNV-UHFFFAOYSA-N
MW535.48 g/mol
LogP8.19
Rot. Bonds2

About 5-[3,5-bis(trifluoromethyl)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol

5-[3,5-bis(trifluoromethyl)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol (PubChem CID 10239588) has the molecular formula C28H23F6NO3 and a molecular weight of 535.48 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol.

Molecular Properties

Compound Name5-[3,5-bis(trifluoromethyl)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
PubChem CID10239588
Molecular FormulaC28H23F6NO3
Molecular Weight535.48 g/mol
Exact Mass535.16
IUPAC Name5-[3,5-bis(trifluoromethyl)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
SMILESCOc1c(O)ccc2c1-c1ccc3c(c1C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)O2)C(C)=CC(C)(C)N3
InChIInChI=1S/C28H23F6NO3/c1-13-12-26(2,3)35-18-6-5-17-22-20(8-7-19(36)25(22)37-4)38-24(23(17)21(13)18)14-9-15(27(29,30)31)11-16(10-14)28(32,33)34/h5-12,24,35-36H,1-4H3
InChIKeyOUTGZESUFRNNNV-UHFFFAOYSA-N
XLogP8.19
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.48
LogP ≤ 58.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-hydroxy-2-methylprop-1-enyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
CID 54090511
5-but-3-enyl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
CID 22314886
8-fluoro-10-methoxy-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 22314985
[3-(10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl] trifluoromethanesulfonate
CID 22314923
10-methoxy-5-(4-methoxyphenyl)-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 10295228
acetic acid;2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinolin-10-ol
CID 22315014
(5Z)-5-[(3,5-ditert-butylphenyl)methylidene]-10-methoxy-2,2,4-trimethyl-1H-chromeno[3,4-f]quinolin-9-ol
CID 11295406
5-[3-(cyclopropylmethoxy)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 10275917
[2-(10-chloro-9-hydroxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-5-yl)phenyl] N,N-dimethylcarbamate
CID 18677391
methyl 10-methoxy-2,2,4-trimethyl-5-prop-2-enyl-1,5-dihydrochromeno[3,4-f]quinoline-9-carboxylate
CID 11069511
10-ethenyl-2,2,4-trimethyl-5-phenyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 22314992
5-(cyclohexen-1-yl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
CID 22315040

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?
The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol (CID 10239588) is 5-[3,5-bis(trifluoromethyl)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol.
What is the SMILES notation for 5-[3,5-bis(trifluoromethyl)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?
The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol is COc1c(O)ccc2c1-c1ccc3c(c1C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)O2)C(C)=CC(C)(C)N3.
What is the InChIKey of 5-[3,5-bis(trifluoromethyl)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?
The InChIKey is OUTGZESUFRNNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F6NO3/c1-13-12-26(2,3)35-18-6-5-17-22-20(8-7-19(36)25(22)37-4)38-24(23(17)21(13)18)14-9-15(27(29,30)31)11-16(10-14)28(32,33)34/h5-12,24,35-36H,1-4H3.
What are the key properties of 5-[3,5-bis(trifluoromethyl)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?
5-[3,5-bis(trifluoromethyl)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol has a molecular weight of 535.48 g/mol, XLogP of 8.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-bis(trifluoromethyl)phenyl]-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol is sourced from PubChem (CID 10239588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).