N-(1-pyridin-3-ylpropyl)-8-quinolin-6-ylquinoxalin-6-amine

C25H21N5 — CID 145185335

IUPACN-(1-pyridin-3-ylpropyl)-8-quinolin-6-ylquinoxalin-6-amine
SMILESCCC(Nc1cc(-c2ccc3ncccc3c2)c2nccnc2c1)c1cccnc1
InChIInChI=1S/C25H21N5/c1-2-22(19-6-3-9-26-16-19)30-20-14-21(25-24(15-20)28-11-12-29-25)17-7-8-23-18(13-17)5-4-10-27-23/h3-16,22,30H,2H2,1H3
InChIKeyNIWSZEDPSJVWPN-UHFFFAOYSA-N
MW391.48 g/mol
LogP5.80
Rot. Bonds5

About N-(1-pyridin-3-ylpropyl)-8-quinolin-6-ylquinoxalin-6-amine

N-(1-pyridin-3-ylpropyl)-8-quinolin-6-ylquinoxalin-6-amine (PubChem CID 145185335) has the molecular formula C25H21N5 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-(1-pyridin-3-ylpropyl)-8-quinolin-6-ylquinoxalin-6-amine.

Molecular Properties

Compound NameN-(1-pyridin-3-ylpropyl)-8-quinolin-6-ylquinoxalin-6-amine
PubChem CID145185335
Molecular FormulaC25H21N5
Molecular Weight391.48 g/mol
Exact Mass391.18
IUPAC NameN-(1-pyridin-3-ylpropyl)-8-quinolin-6-ylquinoxalin-6-amine
SMILESCCC(Nc1cc(-c2ccc3ncccc3c2)c2nccnc2c1)c1cccnc1
InChIInChI=1S/C25H21N5/c1-2-22(19-6-3-9-26-16-19)30-20-14-21(25-24(15-20)28-11-12-29-25)17-7-8-23-18(13-17)5-4-10-27-23/h3-16,22,30H,2H2,1H3
InChIKeyNIWSZEDPSJVWPN-UHFFFAOYSA-N
XLogP5.80
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.48
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-3-ylpropyl)-8-quinolin-6-ylquinoxalin-6-amine?
The IUPAC name of N-(1-pyridin-3-ylpropyl)-8-quinolin-6-ylquinoxalin-6-amine (CID 145185335) is N-(1-pyridin-3-ylpropyl)-8-quinolin-6-ylquinoxalin-6-amine.
What is the SMILES notation for N-(1-pyridin-3-ylpropyl)-8-quinolin-6-ylquinoxalin-6-amine?
The canonical SMILES for N-(1-pyridin-3-ylpropyl)-8-quinolin-6-ylquinoxalin-6-amine is CCC(Nc1cc(-c2ccc3ncccc3c2)c2nccnc2c1)c1cccnc1.
What is the InChIKey of N-(1-pyridin-3-ylpropyl)-8-quinolin-6-ylquinoxalin-6-amine?
The InChIKey is NIWSZEDPSJVWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5/c1-2-22(19-6-3-9-26-16-19)30-20-14-21(25-24(15-20)28-11-12-29-25)17-7-8-23-18(13-17)5-4-10-27-23/h3-16,22,30H,2H2,1H3.
What are the key properties of N-(1-pyridin-3-ylpropyl)-8-quinolin-6-ylquinoxalin-6-amine?
N-(1-pyridin-3-ylpropyl)-8-quinolin-6-ylquinoxalin-6-amine has a molecular weight of 391.48 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-3-ylpropyl)-8-quinolin-6-ylquinoxalin-6-amine is sourced from PubChem (CID 145185335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).