(6aR,12aS)-12-methoxy-7,7-dimethyl-9-(trifluoromethoxy)-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline

C20H20F3NO3 — CID 69132093

IUPAC(6aR,12aS)-12-methoxy-7,7-dimethyl-9-(trifluoromethoxy)-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline
SMILESCON1c2ccc(OC(F)(F)F)cc2C(C)(C)[C@H]2COc3ccccc3[C@H]21
InChIInChI=1S/C20H20F3NO3/c1-19(2)14-10-12(27-20(21,22)23)8-9-16(14)24(25-3)18-13-6-4-5-7-17(13)26-11-15(18)19/h4-10,15,18H,11H2,1-3H3/t15-,18+/m0/s1
InChIKeyCMKFHPMZDHLFKV-MAUKXSAKSA-N
MW379.38 g/mol
LogP4.99
Rot. Bonds2

About (6aR,12aS)-12-methoxy-7,7-dimethyl-9-(trifluoromethoxy)-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline

(6aR,12aS)-12-methoxy-7,7-dimethyl-9-(trifluoromethoxy)-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline (PubChem CID 69132093) has the molecular formula C20H20F3NO3 and a molecular weight of 379.38 g/mol. Its IUPAC name is (6aR,12aS)-12-methoxy-7,7-dimethyl-9-(trifluoromethoxy)-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline.

Molecular Properties

Compound Name(6aR,12aS)-12-methoxy-7,7-dimethyl-9-(trifluoromethoxy)-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline
PubChem CID69132093
Molecular FormulaC20H20F3NO3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC Name(6aR,12aS)-12-methoxy-7,7-dimethyl-9-(trifluoromethoxy)-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline
SMILESCON1c2ccc(OC(F)(F)F)cc2C(C)(C)[C@H]2COc3ccccc3[C@H]21
InChIInChI=1S/C20H20F3NO3/c1-19(2)14-10-12(27-20(21,22)23)8-9-16(14)24(25-3)18-13-6-4-5-7-17(13)26-11-15(18)19/h4-10,15,18H,11H2,1-3H3/t15-,18+/m0/s1
InChIKeyCMKFHPMZDHLFKV-MAUKXSAKSA-N
XLogP4.99
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6aR,12aS)-12-methoxy-7,7-dimethyl-9-(trifluoromethoxy)-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline?
The IUPAC name of (6aR,12aS)-12-methoxy-7,7-dimethyl-9-(trifluoromethoxy)-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline (CID 69132093) is (6aR,12aS)-12-methoxy-7,7-dimethyl-9-(trifluoromethoxy)-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline.
What is the SMILES notation for (6aR,12aS)-12-methoxy-7,7-dimethyl-9-(trifluoromethoxy)-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline?
The canonical SMILES for (6aR,12aS)-12-methoxy-7,7-dimethyl-9-(trifluoromethoxy)-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline is CON1c2ccc(OC(F)(F)F)cc2C(C)(C)[C@H]2COc3ccccc3[C@H]21.
What is the InChIKey of (6aR,12aS)-12-methoxy-7,7-dimethyl-9-(trifluoromethoxy)-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline?
The InChIKey is CMKFHPMZDHLFKV-MAUKXSAKSA-N. The full InChI is InChI=1S/C20H20F3NO3/c1-19(2)14-10-12(27-20(21,22)23)8-9-16(14)24(25-3)18-13-6-4-5-7-17(13)26-11-15(18)19/h4-10,15,18H,11H2,1-3H3/t15-,18+/m0/s1.
What are the key properties of (6aR,12aS)-12-methoxy-7,7-dimethyl-9-(trifluoromethoxy)-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline?
(6aR,12aS)-12-methoxy-7,7-dimethyl-9-(trifluoromethoxy)-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline has a molecular weight of 379.38 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,12aS)-12-methoxy-7,7-dimethyl-9-(trifluoromethoxy)-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline is sourced from PubChem (CID 69132093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).