6-(3,3-dimethyl-4H-isoquinolin-1-yl)-8-methoxyquinoline

C21H20N2O — CID 135152616

IUPAC6-(3,3-dimethyl-4H-isoquinolin-1-yl)-8-methoxyquinoline
SMILESCOc1cc(C2=NC(C)(C)Cc3ccccc32)cc2cccnc12
InChIInChI=1S/C21H20N2O/c1-21(2)13-15-7-4-5-9-17(15)19(23-21)16-11-14-8-6-10-22-20(14)18(12-16)24-3/h4-12H,13H2,1-3H3
InChIKeyMFMNTNCZHXTRJW-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.42
Rot. Bonds2

About 6-(3,3-dimethyl-4H-isoquinolin-1-yl)-8-methoxyquinoline

6-(3,3-dimethyl-4H-isoquinolin-1-yl)-8-methoxyquinoline (PubChem CID 135152616) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 6-(3,3-dimethyl-4H-isoquinolin-1-yl)-8-methoxyquinoline.

Molecular Properties

Compound Name6-(3,3-dimethyl-4H-isoquinolin-1-yl)-8-methoxyquinoline
PubChem CID135152616
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name6-(3,3-dimethyl-4H-isoquinolin-1-yl)-8-methoxyquinoline
SMILESCOc1cc(C2=NC(C)(C)Cc3ccccc32)cc2cccnc12
InChIInChI=1S/C21H20N2O/c1-21(2)13-15-7-4-5-9-17(15)19(23-21)16-11-14-8-6-10-22-20(14)18(12-16)24-3/h4-12H,13H2,1-3H3
InChIKeyMFMNTNCZHXTRJW-UHFFFAOYSA-N
XLogP4.42
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-bromo-3-(3,3-dimethyl-4H-isoquinolin-1-yl)quinoline
CID 90308670
3-(3,3-dimethyl-4H-isoquinolin-1-yl)-6,7-dimethylquinoline
CID 90308725
3-ethyl-3-methyl-1-quinolin-7-yl-4H-isoquinoline
CID 135152564
6-fluoro-3,3-dimethyl-1-quinolin-3-yl-4H-isoquinoline
CID 23160905
6-ethyl-8-methoxyquinoline
CID 137438692
5-chloro-3,3-dimethyl-1-quinolin-7-yl-4H-isoquinoline
CID 135152411
N'-(3,3-dimethyl-4H-isoquinolin-1-yl)-3,4,5-trimethoxybenzohydrazide
CID 3101537
ethane;8-methoxy-6-methylquinoline;methyl formate
CID 156896164
5-methoxy-3,3-dimethyl-1-quinolin-2-yl-4H-isoquinoline
CID 135152690
3,3-dimethyl-1-quinolin-7-yl-5-(trifluoromethyl)-4H-isoquinoline
CID 135153240
3,3,7-trimethyl-1-pyridin-2-yl-4H-isoquinoline
CID 163782236
2-(2-methoxyphenyl)-1,10-phenanthroline;hydrochloride
CID 140537308

Frequently Asked Questions

What is the IUPAC name of 6-(3,3-dimethyl-4H-isoquinolin-1-yl)-8-methoxyquinoline?
The IUPAC name of 6-(3,3-dimethyl-4H-isoquinolin-1-yl)-8-methoxyquinoline (CID 135152616) is 6-(3,3-dimethyl-4H-isoquinolin-1-yl)-8-methoxyquinoline.
What is the SMILES notation for 6-(3,3-dimethyl-4H-isoquinolin-1-yl)-8-methoxyquinoline?
The canonical SMILES for 6-(3,3-dimethyl-4H-isoquinolin-1-yl)-8-methoxyquinoline is COc1cc(C2=NC(C)(C)Cc3ccccc32)cc2cccnc12.
What is the InChIKey of 6-(3,3-dimethyl-4H-isoquinolin-1-yl)-8-methoxyquinoline?
The InChIKey is MFMNTNCZHXTRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-21(2)13-15-7-4-5-9-17(15)19(23-21)16-11-14-8-6-10-22-20(14)18(12-16)24-3/h4-12H,13H2,1-3H3.
What are the key properties of 6-(3,3-dimethyl-4H-isoquinolin-1-yl)-8-methoxyquinoline?
6-(3,3-dimethyl-4H-isoquinolin-1-yl)-8-methoxyquinoline has a molecular weight of 316.40 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-dimethyl-4H-isoquinolin-1-yl)-8-methoxyquinoline is sourced from PubChem (CID 135152616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).