2,4-dimethyl-6H-isoquinoline

C11H13N — CID 22965486

IUPAC2,4-dimethyl-6H-isoquinoline
SMILESCC1=CN(C)C=C2C=CCC=C12
InChIInChI=1S/C11H13N/c1-9-7-12(2)8-10-5-3-4-6-11(9)10/h3,5-8H,4H2,1-2H3
InChIKeyWQOGEUZBYCMVIO-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.61
Rot. Bonds

About 2,4-dimethyl-6H-isoquinoline

2,4-dimethyl-6H-isoquinoline (PubChem CID 22965486) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 2,4-dimethyl-6H-isoquinoline.

Molecular Properties

Compound Name2,4-dimethyl-6H-isoquinoline
PubChem CID22965486
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name2,4-dimethyl-6H-isoquinoline
SMILESCC1=CN(C)C=C2C=CCC=C12
InChIInChI=1S/C11H13N/c1-9-7-12(2)8-10-5-3-4-6-11(9)10/h3,5-8H,4H2,1-2H3
InChIKeyWQOGEUZBYCMVIO-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(Dimethylamino)fulvene
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5-ethyl-1-methyl-2H-pyridine
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1,1'-Dimethyl-1,1',2,2'-tetrahydro-4,4'-bipyridine
CID 20406507
N,N'-dimethyl-2,7-diazapyrene
CID 69530262
N,N'-dimethyl-2,7-diazapyrenium chloride
CID 129694638
(1Z)-1-cyclohex-3-en-1-ylidene-N,N-dimethylmethanamine
CID 88727379
2-Propenyl-pentadienyl-dimethylamin
CID 129649470
(E)-6-cyclopenta-2,4-dien-1-ylidene-N,N-dimethylhex-1-en-1-amine
CID 134944969
CID 164673417
CID 164673417
(1Z)-1-cyclohexa-2,4-dien-1-ylidene-N,N-dimethylmethanamine
CID 164673616
4-Cyclopenta-2,4-dien-1-ylidene-1-methylpyridine
CID 85734101
2,3-dimethyl-3H-isoquinoline
CID 409149

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6H-isoquinoline?
The IUPAC name of 2,4-dimethyl-6H-isoquinoline (CID 22965486) is 2,4-dimethyl-6H-isoquinoline.
What is the SMILES notation for 2,4-dimethyl-6H-isoquinoline?
The canonical SMILES for 2,4-dimethyl-6H-isoquinoline is CC1=CN(C)C=C2C=CCC=C12.
What is the InChIKey of 2,4-dimethyl-6H-isoquinoline?
The InChIKey is WQOGEUZBYCMVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-9-7-12(2)8-10-5-3-4-6-11(9)10/h3,5-8H,4H2,1-2H3.
What are the key properties of 2,4-dimethyl-6H-isoquinoline?
2,4-dimethyl-6H-isoquinoline has a molecular weight of 159.23 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6H-isoquinoline is sourced from PubChem (CID 22965486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).