1,8-di(propan-2-yl)isoquinoline

C15H19N — CID 170669302

IUPAC1,8-di(propan-2-yl)isoquinoline
SMILESCC(C)c1cccc2ccnc(C(C)C)c12
InChIInChI=1S/C15H19N/c1-10(2)13-7-5-6-12-8-9-16-15(11(3)4)14(12)13/h5-11H,1-4H3
InChIKeyJUSBLIRYSINYJU-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.48
Rot. Bonds2

About 1,8-di(propan-2-yl)isoquinoline

1,8-di(propan-2-yl)isoquinoline (PubChem CID 170669302) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 1,8-di(propan-2-yl)isoquinoline.

Molecular Properties

Compound Name1,8-di(propan-2-yl)isoquinoline
PubChem CID170669302
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name1,8-di(propan-2-yl)isoquinoline
SMILESCC(C)c1cccc2ccnc(C(C)C)c12
InChIInChI=1S/C15H19N/c1-10(2)13-7-5-6-12-8-9-16-15(11(3)4)14(12)13/h5-11H,1-4H3
InChIKeyJUSBLIRYSINYJU-UHFFFAOYSA-N
XLogP4.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,8-di(propan-2-yl)isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,8-di(propan-2-yl)-2,7-naphthyridine
CID 170669033
4,5-di(propan-2-yl)-1,6-naphthyridine
CID 170669371
8-propan-2-ylnaphthalen-1-ol
CID 10465049
8-(piperidin-1-ylmethyl)-1-propan-2-ylisoquinoline
CID 177291811
1-propan-2-yl-6-(8-propan-2-ylisoquinolin-3-yl)isoquinoline
CID 129049108
2,3-di(propan-2-yl)pyridine;ethanol
CID 159072457
1,3,4-tri(propan-2-yl)pyrrolo[3,2-c]pyridine
CID 71038115
2-methyl-7-propan-2-ylpyrazolo[3,4-c]pyridine
CID 146515408
2-chloro-1-fluoro-8-propan-2-ylnaphthalene
CID 164922415
16-[2,6-di(propan-2-yl)phenyl]-3,16-diazahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(20),2,4,6(23),7,9,11(21),12,14(22),18-decaene-15,17-dione
CID 135017342
2,9-di(propan-2-yl)-3H-benzo[e]benzimidazole
CID 58427029
N-[2,6-di(propan-2-yl)phenyl]benzo[h]quinolin-10-amine
CID 153406520

Frequently Asked Questions

What is the IUPAC name of 1,8-di(propan-2-yl)isoquinoline?
The IUPAC name of 1,8-di(propan-2-yl)isoquinoline (CID 170669302) is 1,8-di(propan-2-yl)isoquinoline.
What is the SMILES notation for 1,8-di(propan-2-yl)isoquinoline?
The canonical SMILES for 1,8-di(propan-2-yl)isoquinoline is CC(C)c1cccc2ccnc(C(C)C)c12.
What is the InChIKey of 1,8-di(propan-2-yl)isoquinoline?
The InChIKey is JUSBLIRYSINYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-10(2)13-7-5-6-12-8-9-16-15(11(3)4)14(12)13/h5-11H,1-4H3.
What are the key properties of 1,8-di(propan-2-yl)isoquinoline?
1,8-di(propan-2-yl)isoquinoline has a molecular weight of 213.32 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-di(propan-2-yl)isoquinoline is sourced from PubChem (CID 170669302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).