3-[3-(8-methyl-4-pyridin-3-ylquinolin-6-yl)-1H-indol-5-yl]propan-1-amine

C26H24N4 — CID 135169273

IUPAC3-[3-(8-methyl-4-pyridin-3-ylquinolin-6-yl)-1H-indol-5-yl]propan-1-amine
SMILESCc1cc(-c2c[nH]c3ccc(CCCN)cc23)cc2c(-c3cccnc3)ccnc12
InChIInChI=1S/C26H24N4/c1-17-12-20(24-16-30-25-7-6-18(4-2-9-27)13-22(24)25)14-23-21(8-11-29-26(17)23)19-5-3-10-28-15-19/h3,5-8,10-16,30H,2,4,9,27H2,1H3
InChIKeyLCIJNQJLRDVIOP-UHFFFAOYSA-N
MW392.51 g/mol
LogP5.64
Rot. Bonds5

About 3-[3-(8-methyl-4-pyridin-3-ylquinolin-6-yl)-1H-indol-5-yl]propan-1-amine

3-[3-(8-methyl-4-pyridin-3-ylquinolin-6-yl)-1H-indol-5-yl]propan-1-amine (PubChem CID 135169273) has the molecular formula C26H24N4 and a molecular weight of 392.51 g/mol. Its IUPAC name is 3-[3-(8-methyl-4-pyridin-3-ylquinolin-6-yl)-1H-indol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(8-methyl-4-pyridin-3-ylquinolin-6-yl)-1H-indol-5-yl]propan-1-amine
PubChem CID135169273
Molecular FormulaC26H24N4
Molecular Weight392.51 g/mol
Exact Mass392.20
IUPAC Name3-[3-(8-methyl-4-pyridin-3-ylquinolin-6-yl)-1H-indol-5-yl]propan-1-amine
SMILESCc1cc(-c2c[nH]c3ccc(CCCN)cc23)cc2c(-c3cccnc3)ccnc12
InChIInChI=1S/C26H24N4/c1-17-12-20(24-16-30-25-7-6-18(4-2-9-27)13-22(24)25)14-23-21(8-11-29-26(17)23)19-5-3-10-28-15-19/h3,5-8,10-16,30H,2,4,9,27H2,1H3
InChIKeyLCIJNQJLRDVIOP-UHFFFAOYSA-N
XLogP5.64
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.51
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(8-methyl-4-pyridin-3-ylquinolin-6-yl)-1H-indol-5-yl]propan-1-amine?
The IUPAC name of 3-[3-(8-methyl-4-pyridin-3-ylquinolin-6-yl)-1H-indol-5-yl]propan-1-amine (CID 135169273) is 3-[3-(8-methyl-4-pyridin-3-ylquinolin-6-yl)-1H-indol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(8-methyl-4-pyridin-3-ylquinolin-6-yl)-1H-indol-5-yl]propan-1-amine?
The canonical SMILES for 3-[3-(8-methyl-4-pyridin-3-ylquinolin-6-yl)-1H-indol-5-yl]propan-1-amine is Cc1cc(-c2c[nH]c3ccc(CCCN)cc23)cc2c(-c3cccnc3)ccnc12.
What is the InChIKey of 3-[3-(8-methyl-4-pyridin-3-ylquinolin-6-yl)-1H-indol-5-yl]propan-1-amine?
The InChIKey is LCIJNQJLRDVIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4/c1-17-12-20(24-16-30-25-7-6-18(4-2-9-27)13-22(24)25)14-23-21(8-11-29-26(17)23)19-5-3-10-28-15-19/h3,5-8,10-16,30H,2,4,9,27H2,1H3.
What are the key properties of 3-[3-(8-methyl-4-pyridin-3-ylquinolin-6-yl)-1H-indol-5-yl]propan-1-amine?
3-[3-(8-methyl-4-pyridin-3-ylquinolin-6-yl)-1H-indol-5-yl]propan-1-amine has a molecular weight of 392.51 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(8-methyl-4-pyridin-3-ylquinolin-6-yl)-1H-indol-5-yl]propan-1-amine is sourced from PubChem (CID 135169273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).