2,3-dimethoxy-10-(trifluoromethyl)-5,6-dihydroindolo[2,1-a]isoquinoline

C19H16F3NO2 — CID 45483597

IUPAC2,3-dimethoxy-10-(trifluoromethyl)-5,6-dihydroindolo[2,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1cc3cc(C(F)(F)F)ccc3n1CC2
InChIInChI=1S/C19H16F3NO2/c1-24-17-9-11-5-6-23-15-4-3-13(19(20,21)22)7-12(15)8-16(23)14(11)10-18(17)25-2/h3-4,7-10H,5-6H2,1-2H3
InChIKeyOCPXDPOCBMWDRH-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.90
Rot. Bonds2

About 2,3-dimethoxy-10-(trifluoromethyl)-5,6-dihydroindolo[2,1-a]isoquinoline

2,3-dimethoxy-10-(trifluoromethyl)-5,6-dihydroindolo[2,1-a]isoquinoline (PubChem CID 45483597) has the molecular formula C19H16F3NO2 and a molecular weight of 347.34 g/mol. Its IUPAC name is 2,3-dimethoxy-10-(trifluoromethyl)-5,6-dihydroindolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name2,3-dimethoxy-10-(trifluoromethyl)-5,6-dihydroindolo[2,1-a]isoquinoline
PubChem CID45483597
Molecular FormulaC19H16F3NO2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC Name2,3-dimethoxy-10-(trifluoromethyl)-5,6-dihydroindolo[2,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1cc3cc(C(F)(F)F)ccc3n1CC2
InChIInChI=1S/C19H16F3NO2/c1-24-17-9-11-5-6-23-15-4-3-13(19(20,21)22)7-12(15)8-16(23)14(11)10-18(17)25-2/h3-4,7-10H,5-6H2,1-2H3
InChIKeyOCPXDPOCBMWDRH-UHFFFAOYSA-N
XLogP4.90
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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5,7-Dioxa-12-azoniapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-1(18),2,4(8),9,11,15(19),16-heptaen-17-olate
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CID 10039460
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CID 10402592
(1S)-1-[(1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
CID 139267728

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-10-(trifluoromethyl)-5,6-dihydroindolo[2,1-a]isoquinoline?
The IUPAC name of 2,3-dimethoxy-10-(trifluoromethyl)-5,6-dihydroindolo[2,1-a]isoquinoline (CID 45483597) is 2,3-dimethoxy-10-(trifluoromethyl)-5,6-dihydroindolo[2,1-a]isoquinoline.
What is the SMILES notation for 2,3-dimethoxy-10-(trifluoromethyl)-5,6-dihydroindolo[2,1-a]isoquinoline?
The canonical SMILES for 2,3-dimethoxy-10-(trifluoromethyl)-5,6-dihydroindolo[2,1-a]isoquinoline is COc1cc2c(cc1OC)-c1cc3cc(C(F)(F)F)ccc3n1CC2.
What is the InChIKey of 2,3-dimethoxy-10-(trifluoromethyl)-5,6-dihydroindolo[2,1-a]isoquinoline?
The InChIKey is OCPXDPOCBMWDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO2/c1-24-17-9-11-5-6-23-15-4-3-13(19(20,21)22)7-12(15)8-16(23)14(11)10-18(17)25-2/h3-4,7-10H,5-6H2,1-2H3.
What are the key properties of 2,3-dimethoxy-10-(trifluoromethyl)-5,6-dihydroindolo[2,1-a]isoquinoline?
2,3-dimethoxy-10-(trifluoromethyl)-5,6-dihydroindolo[2,1-a]isoquinoline has a molecular weight of 347.34 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-10-(trifluoromethyl)-5,6-dihydroindolo[2,1-a]isoquinoline is sourced from PubChem (CID 45483597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).