1-(4-methoxyquinolin-2-yl)-3,3,4,4-tetramethylisoquinoline

C23H24N2O — CID 135152438

IUPAC1-(4-methoxyquinolin-2-yl)-3,3,4,4-tetramethylisoquinoline
SMILESCOc1cc(C2=NC(C)(C)C(C)(C)c3ccccc32)nc2ccccc12
InChIInChI=1S/C23H24N2O/c1-22(2)17-12-8-6-10-15(17)21(25-23(22,3)4)19-14-20(26-5)16-11-7-9-13-18(16)24-19/h6-14H,1-5H3
InChIKeyZUDGDHIDUBXRBK-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.15
Rot. Bonds2

About 1-(4-methoxyquinolin-2-yl)-3,3,4,4-tetramethylisoquinoline

1-(4-methoxyquinolin-2-yl)-3,3,4,4-tetramethylisoquinoline (PubChem CID 135152438) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-(4-methoxyquinolin-2-yl)-3,3,4,4-tetramethylisoquinoline.

Molecular Properties

Compound Name1-(4-methoxyquinolin-2-yl)-3,3,4,4-tetramethylisoquinoline
PubChem CID135152438
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name1-(4-methoxyquinolin-2-yl)-3,3,4,4-tetramethylisoquinoline
SMILESCOc1cc(C2=NC(C)(C)C(C)(C)c3ccccc32)nc2ccccc12
InChIInChI=1S/C23H24N2O/c1-22(2)17-12-8-6-10-15(17)21(25-23(22,3)4)19-14-20(26-5)16-11-7-9-13-18(16)24-19/h6-14H,1-5H3
InChIKeyZUDGDHIDUBXRBK-UHFFFAOYSA-N
XLogP5.15
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3,4,4-tetramethylisoquinolin-1-yl)-5,6,7,8-tetrahydroquinoxaline
CID 135152929
2-(chloromethyl)-4-methoxyquinoline
CID 63375679
[4-(4-methoxyquinolin-2-yl)phenyl]methanol
CID 46933322
2-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxyquinoline
CID 156781535
2-(3,3,4,4-tetramethylisoquinolin-1-yl)-1H-quinolin-4-one
CID 135152679
2-(6-fluoro-3,3,4,4-tetramethylisoquinolin-1-yl)-4-methylsulfanylquinazoline
CID 135153045
N-[(4-methoxyquinolin-2-yl)methyl]-2-methylpropan-2-amine
CID 63377449
4-methoxy-2-(4-propoxyphenyl)quinoline
CID 53466443
2-(2-methoxy-5-methylphenyl)quinolin-4-amine
CID 82091521
2-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]quinoline
CID 90459307
2-[2-(2-fluorophenyl)ethyl]-4-methoxyquinoline
CID 142134657
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxyquinoline;hydrochloride
CID 16637848

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyquinolin-2-yl)-3,3,4,4-tetramethylisoquinoline?
The IUPAC name of 1-(4-methoxyquinolin-2-yl)-3,3,4,4-tetramethylisoquinoline (CID 135152438) is 1-(4-methoxyquinolin-2-yl)-3,3,4,4-tetramethylisoquinoline.
What is the SMILES notation for 1-(4-methoxyquinolin-2-yl)-3,3,4,4-tetramethylisoquinoline?
The canonical SMILES for 1-(4-methoxyquinolin-2-yl)-3,3,4,4-tetramethylisoquinoline is COc1cc(C2=NC(C)(C)C(C)(C)c3ccccc32)nc2ccccc12.
What is the InChIKey of 1-(4-methoxyquinolin-2-yl)-3,3,4,4-tetramethylisoquinoline?
The InChIKey is ZUDGDHIDUBXRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-22(2)17-12-8-6-10-15(17)21(25-23(22,3)4)19-14-20(26-5)16-11-7-9-13-18(16)24-19/h6-14H,1-5H3.
What are the key properties of 1-(4-methoxyquinolin-2-yl)-3,3,4,4-tetramethylisoquinoline?
1-(4-methoxyquinolin-2-yl)-3,3,4,4-tetramethylisoquinoline has a molecular weight of 344.46 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyquinolin-2-yl)-3,3,4,4-tetramethylisoquinoline is sourced from PubChem (CID 135152438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).