3-isoquinolin-3-yl-1-methylisoquinoline

C19H14N2 — CID 145217265

IUPAC3-isoquinolin-3-yl-1-methylisoquinoline
SMILESCc1nc(-c2cc3ccccc3cn2)cc2ccccc12
InChIInChI=1S/C19H14N2/c1-13-17-9-5-4-7-15(17)11-19(21-13)18-10-14-6-2-3-8-16(14)12-20-18/h2-12H,1H3
InChIKeySRXOOBIQHPRIOB-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.76
Rot. Bonds1

About 3-isoquinolin-3-yl-1-methylisoquinoline

3-isoquinolin-3-yl-1-methylisoquinoline (PubChem CID 145217265) has the molecular formula C19H14N2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-isoquinolin-3-yl-1-methylisoquinoline.

Molecular Properties

Compound Name3-isoquinolin-3-yl-1-methylisoquinoline
PubChem CID145217265
Molecular FormulaC19H14N2
Molecular Weight270.33 g/mol
Exact Mass270.12
IUPAC Name3-isoquinolin-3-yl-1-methylisoquinoline
SMILESCc1nc(-c2cc3ccccc3cn2)cc2ccccc12
InChIInChI=1S/C19H14N2/c1-13-17-9-5-4-7-15(17)11-19(21-13)18-10-14-6-2-3-8-16(14)12-20-18/h2-12H,1H3
InChIKeySRXOOBIQHPRIOB-UHFFFAOYSA-N
XLogP4.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-phenylisoquinoline
CID 10376139
3-(5-methyl-2-pyridinyl)isoquinoline
CID 58382619
3-(4-bromophenyl)-1-methylisoquinoline
CID 141395561
3-[6-(2-methylphenyl)-2-pyridinyl]isoquinoline
CID 58234805
3-(2-benzofuran-1-yl)isoquinoline
CID 91281144
6-isoquinolin-3-ylpyridin-3-amine
CID 143968927
5-isoquinolin-3-yl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 168745971
3-azulen-2-ylisoquinoline
CID 139326489
3-[4-[4,6-di(phenanthren-9-yl)pyrimidin-2-yl]phenyl]isoquinoline
CID 90261775
4-isoquinolin-3-yl-7-(4-methylnaphthalen-2-yl)-2,9-diphenyl-1,10-phenanthroline
CID 144839303
3-[3-(2-phenylpropan-2-yl)phenyl]isoquinoline
CID 162707825
3-(4,5-dihydro-1H-imidazol-2-yl)isoquinoline
CID 3410883

Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-3-yl-1-methylisoquinoline?
The IUPAC name of 3-isoquinolin-3-yl-1-methylisoquinoline (CID 145217265) is 3-isoquinolin-3-yl-1-methylisoquinoline.
What is the SMILES notation for 3-isoquinolin-3-yl-1-methylisoquinoline?
The canonical SMILES for 3-isoquinolin-3-yl-1-methylisoquinoline is Cc1nc(-c2cc3ccccc3cn2)cc2ccccc12.
What is the InChIKey of 3-isoquinolin-3-yl-1-methylisoquinoline?
The InChIKey is SRXOOBIQHPRIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2/c1-13-17-9-5-4-7-15(17)11-19(21-13)18-10-14-6-2-3-8-16(14)12-20-18/h2-12H,1H3.
What are the key properties of 3-isoquinolin-3-yl-1-methylisoquinoline?
3-isoquinolin-3-yl-1-methylisoquinoline has a molecular weight of 270.33 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-3-yl-1-methylisoquinoline is sourced from PubChem (CID 145217265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).