2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-1-pyridin-4-ylethanamine

C25H25N3 — CID 67565105

IUPAC2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-1-pyridin-4-ylethanamine
SMILESCC(C)c1cc(-c2cccc(CC(N)c3ccncc3)c2)c2ncccc2c1
InChIInChI=1S/C25H25N3/c1-17(2)22-15-21-7-4-10-28-25(21)23(16-22)20-6-3-5-18(13-20)14-24(26)19-8-11-27-12-9-19/h3-13,15-17,24H,14,26H2,1-2H3
InChIKeySNCBZNIPNZPUDW-UHFFFAOYSA-N
MW367.50 g/mol
LogP5.66
Rot. Bonds5

About 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-1-pyridin-4-ylethanamine

2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-1-pyridin-4-ylethanamine (PubChem CID 67565105) has the molecular formula C25H25N3 and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-1-pyridin-4-ylethanamine
PubChem CID67565105
Molecular FormulaC25H25N3
Molecular Weight367.50 g/mol
Exact Mass367.20
IUPAC Name2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-1-pyridin-4-ylethanamine
SMILESCC(C)c1cc(-c2cccc(CC(N)c3ccncc3)c2)c2ncccc2c1
InChIInChI=1S/C25H25N3/c1-17(2)22-15-21-7-4-10-28-25(21)23(16-22)20-6-3-5-18(13-20)14-24(26)19-8-11-27-12-9-19/h3-13,15-17,24H,14,26H2,1-2H3
InChIKeySNCBZNIPNZPUDW-UHFFFAOYSA-N
XLogP5.66
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.50
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-1-pyridin-4-ylethanamine?
The IUPAC name of 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-1-pyridin-4-ylethanamine (CID 67565105) is 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-1-pyridin-4-ylethanamine is CC(C)c1cc(-c2cccc(CC(N)c3ccncc3)c2)c2ncccc2c1.
What is the InChIKey of 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-1-pyridin-4-ylethanamine?
The InChIKey is SNCBZNIPNZPUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3/c1-17(2)22-15-21-7-4-10-28-25(21)23(16-22)20-6-3-5-18(13-20)14-24(26)19-8-11-27-12-9-19/h3-13,15-17,24H,14,26H2,1-2H3.
What are the key properties of 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-1-pyridin-4-ylethanamine?
2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-1-pyridin-4-ylethanamine has a molecular weight of 367.50 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 67565105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).