6,8-dimethoxy-1,3,3-trimethyl-4H-isoquinoline

C14H19NO2 — CID 24797160

IUPAC6,8-dimethoxy-1,3,3-trimethyl-4H-isoquinoline
SMILESCOc1cc2c(c(OC)c1)C(C)=NC(C)(C)C2
InChIInChI=1S/C14H19NO2/c1-9-13-10(8-14(2,3)15-9)6-11(16-4)7-12(13)17-5/h6-7H,8H2,1-5H3
InChIKeyHYBITCVTQFPKTI-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.85
Rot. Bonds2

About 6,8-dimethoxy-1,3,3-trimethyl-4H-isoquinoline

6,8-dimethoxy-1,3,3-trimethyl-4H-isoquinoline (PubChem CID 24797160) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 6,8-dimethoxy-1,3,3-trimethyl-4H-isoquinoline.

Molecular Properties

Compound Name6,8-dimethoxy-1,3,3-trimethyl-4H-isoquinoline
PubChem CID24797160
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name6,8-dimethoxy-1,3,3-trimethyl-4H-isoquinoline
SMILESCOc1cc2c(c(OC)c1)C(C)=NC(C)(C)C2
InChIInChI=1S/C14H19NO2/c1-9-13-10(8-14(2,3)15-9)6-11(16-4)7-12(13)17-5/h6-7H,8H2,1-5H3
InChIKeyHYBITCVTQFPKTI-UHFFFAOYSA-N
XLogP2.85
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-dimethoxy-3a-methyl-3,4-dihydro-2H-cyclopenta[a]indene
CID 101436983
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3,5-dimethoxyaniline
CID 129246923
6,7-dimethoxy-3,3-dimethyl-1-propan-2-yl-4H-isoquinoline
CID 720207
5,7-dimethoxy-3H-2-benzofuran-1-one
CID 7314397
5,6-dimethoxy-2,2-dimethylbenzimidazole
CID 90686624
6-methoxy-3,3-dimethyl-4H-isoquinoline
CID 15337117
chloro-tris(2,4,6-trimethoxyphenyl)silane
CID 88962916
6,13-dimethoxy-15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene
CID 11985892
6,7-dimethoxy-3,3-dimethyl-1-(3,4,5-trimethoxyphenyl)-4H-isoquinoline
CID 5295443
6,8-dimethoxyspiro[4H-isoquinoline-3,1'-cyclohexane]
CID 171987548
4,4-dimethyl-2-[(Z)-2-(2,4,6-trimethoxyphenyl)ethenyl]-5H-1,3-oxazole
CID 101150941
2-(2,6-difluorophenyl)-1,3,5-trimethoxybenzene
CID 175990083

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-1,3,3-trimethyl-4H-isoquinoline?
The IUPAC name of 6,8-dimethoxy-1,3,3-trimethyl-4H-isoquinoline (CID 24797160) is 6,8-dimethoxy-1,3,3-trimethyl-4H-isoquinoline.
What is the SMILES notation for 6,8-dimethoxy-1,3,3-trimethyl-4H-isoquinoline?
The canonical SMILES for 6,8-dimethoxy-1,3,3-trimethyl-4H-isoquinoline is COc1cc2c(c(OC)c1)C(C)=NC(C)(C)C2.
What is the InChIKey of 6,8-dimethoxy-1,3,3-trimethyl-4H-isoquinoline?
The InChIKey is HYBITCVTQFPKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-13-10(8-14(2,3)15-9)6-11(16-4)7-12(13)17-5/h6-7H,8H2,1-5H3.
What are the key properties of 6,8-dimethoxy-1,3,3-trimethyl-4H-isoquinoline?
6,8-dimethoxy-1,3,3-trimethyl-4H-isoquinoline has a molecular weight of 233.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-1,3,3-trimethyl-4H-isoquinoline is sourced from PubChem (CID 24797160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).