1-propan-2-yl-6-(8-propan-2-ylisoquinolin-3-yl)isoquinoline

C24H24N2 — CID 129049108

IUPAC1-propan-2-yl-6-(8-propan-2-ylisoquinolin-3-yl)isoquinoline
SMILESCC(C)c1cccc2cc(-c3ccc4c(C(C)C)nccc4c3)ncc12
InChIInChI=1S/C24H24N2/c1-15(2)20-7-5-6-17-13-23(26-14-22(17)20)19-8-9-21-18(12-19)10-11-25-24(21)16(3)4/h5-16H,1-4H3
InChIKeyWYCUVHOUHFPOJU-UHFFFAOYSA-N
MW340.47 g/mol
LogP6.70
Rot. Bonds3

About 1-propan-2-yl-6-(8-propan-2-ylisoquinolin-3-yl)isoquinoline

1-propan-2-yl-6-(8-propan-2-ylisoquinolin-3-yl)isoquinoline (PubChem CID 129049108) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-propan-2-yl-6-(8-propan-2-ylisoquinolin-3-yl)isoquinoline.

Molecular Properties

Compound Name1-propan-2-yl-6-(8-propan-2-ylisoquinolin-3-yl)isoquinoline
PubChem CID129049108
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name1-propan-2-yl-6-(8-propan-2-ylisoquinolin-3-yl)isoquinoline
SMILESCC(C)c1cccc2cc(-c3ccc4c(C(C)C)nccc4c3)ncc12
InChIInChI=1S/C24H24N2/c1-15(2)20-7-5-6-17-13-23(26-14-22(17)20)19-8-9-21-18(12-19)10-11-25-24(21)16(3)4/h5-16H,1-4H3
InChIKeyWYCUVHOUHFPOJU-UHFFFAOYSA-N
XLogP6.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-6-(8-propan-2-ylisoquinolin-3-yl)isoquinoline?
The IUPAC name of 1-propan-2-yl-6-(8-propan-2-ylisoquinolin-3-yl)isoquinoline (CID 129049108) is 1-propan-2-yl-6-(8-propan-2-ylisoquinolin-3-yl)isoquinoline.
What is the SMILES notation for 1-propan-2-yl-6-(8-propan-2-ylisoquinolin-3-yl)isoquinoline?
The canonical SMILES for 1-propan-2-yl-6-(8-propan-2-ylisoquinolin-3-yl)isoquinoline is CC(C)c1cccc2cc(-c3ccc4c(C(C)C)nccc4c3)ncc12.
What is the InChIKey of 1-propan-2-yl-6-(8-propan-2-ylisoquinolin-3-yl)isoquinoline?
The InChIKey is WYCUVHOUHFPOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2/c1-15(2)20-7-5-6-17-13-23(26-14-22(17)20)19-8-9-21-18(12-19)10-11-25-24(21)16(3)4/h5-16H,1-4H3.
What are the key properties of 1-propan-2-yl-6-(8-propan-2-ylisoquinolin-3-yl)isoquinoline?
1-propan-2-yl-6-(8-propan-2-ylisoquinolin-3-yl)isoquinoline has a molecular weight of 340.47 g/mol, XLogP of 6.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-6-(8-propan-2-ylisoquinolin-3-yl)isoquinoline is sourced from PubChem (CID 129049108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).