(2S)-1-(1H-indol-3-yl)-3-(6-pyridin-4-ylquinolin-3-yl)oxypropan-2-amine

C25H22N4O — CID 10150682

IUPAC(2S)-1-(1H-indol-3-yl)-3-(6-pyridin-4-ylquinolin-3-yl)oxypropan-2-amine
SMILESN[C@H](COc1cnc2ccc(-c3ccncc3)cc2c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C25H22N4O/c26-21(12-20-14-28-25-4-2-1-3-23(20)25)16-30-22-13-19-11-18(5-6-24(19)29-15-22)17-7-9-27-10-8-17/h1-11,13-15,21,28H,12,16,26H2/t21-/m0/s1
InChIKeyJQSKWGALHLCBQA-NRFANRHFSA-N
MW394.48 g/mol
LogP4.73
Rot. Bonds6

About (2S)-1-(1H-indol-3-yl)-3-(6-pyridin-4-ylquinolin-3-yl)oxypropan-2-amine

(2S)-1-(1H-indol-3-yl)-3-(6-pyridin-4-ylquinolin-3-yl)oxypropan-2-amine (PubChem CID 10150682) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is (2S)-1-(1H-indol-3-yl)-3-(6-pyridin-4-ylquinolin-3-yl)oxypropan-2-amine.

Molecular Properties

Compound Name(2S)-1-(1H-indol-3-yl)-3-(6-pyridin-4-ylquinolin-3-yl)oxypropan-2-amine
PubChem CID10150682
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name(2S)-1-(1H-indol-3-yl)-3-(6-pyridin-4-ylquinolin-3-yl)oxypropan-2-amine
SMILESN[C@H](COc1cnc2ccc(-c3ccncc3)cc2c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C25H22N4O/c26-21(12-20-14-28-25-4-2-1-3-23(20)25)16-30-22-13-19-11-18(5-6-24(19)29-15-22)17-7-9-27-10-8-17/h1-11,13-15,21,28H,12,16,26H2/t21-/m0/s1
InChIKeyJQSKWGALHLCBQA-NRFANRHFSA-N
XLogP4.73
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1H-indol-3-yl)-3-(6-pyridin-4-ylquinolin-3-yl)oxypropan-2-amine?
The IUPAC name of (2S)-1-(1H-indol-3-yl)-3-(6-pyridin-4-ylquinolin-3-yl)oxypropan-2-amine (CID 10150682) is (2S)-1-(1H-indol-3-yl)-3-(6-pyridin-4-ylquinolin-3-yl)oxypropan-2-amine.
What is the SMILES notation for (2S)-1-(1H-indol-3-yl)-3-(6-pyridin-4-ylquinolin-3-yl)oxypropan-2-amine?
The canonical SMILES for (2S)-1-(1H-indol-3-yl)-3-(6-pyridin-4-ylquinolin-3-yl)oxypropan-2-amine is N[C@H](COc1cnc2ccc(-c3ccncc3)cc2c1)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-1-(1H-indol-3-yl)-3-(6-pyridin-4-ylquinolin-3-yl)oxypropan-2-amine?
The InChIKey is JQSKWGALHLCBQA-NRFANRHFSA-N. The full InChI is InChI=1S/C25H22N4O/c26-21(12-20-14-28-25-4-2-1-3-23(20)25)16-30-22-13-19-11-18(5-6-24(19)29-15-22)17-7-9-27-10-8-17/h1-11,13-15,21,28H,12,16,26H2/t21-/m0/s1.
What are the key properties of (2S)-1-(1H-indol-3-yl)-3-(6-pyridin-4-ylquinolin-3-yl)oxypropan-2-amine?
(2S)-1-(1H-indol-3-yl)-3-(6-pyridin-4-ylquinolin-3-yl)oxypropan-2-amine has a molecular weight of 394.48 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1H-indol-3-yl)-3-(6-pyridin-4-ylquinolin-3-yl)oxypropan-2-amine is sourced from PubChem (CID 10150682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).