1H-indol-2-yl-[4-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperazin-1-yl]methanone

C25H26N6O — CID 154835068

IUPAC1H-indol-2-yl-[4-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(c2nc3ccccc3nc2N2CCCC2)CC1
InChIInChI=1S/C25H26N6O/c32-25(22-17-18-7-1-2-8-19(18)26-22)31-15-13-30(14-16-31)24-23(29-11-5-6-12-29)27-20-9-3-4-10-21(20)28-24/h1-4,7-10,17,26H,5-6,11-16H2
InChIKeyOQUHHHYKOAPLEY-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.67
Rot. Bonds3

About 1H-indol-2-yl-[4-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperazin-1-yl]methanone

1H-indol-2-yl-[4-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperazin-1-yl]methanone (PubChem CID 154835068) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 1H-indol-2-yl-[4-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-2-yl-[4-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperazin-1-yl]methanone
PubChem CID154835068
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name1H-indol-2-yl-[4-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(c2nc3ccccc3nc2N2CCCC2)CC1
InChIInChI=1S/C25H26N6O/c32-25(22-17-18-7-1-2-8-19(18)26-22)31-15-13-30(14-16-31)24-23(29-11-5-6-12-29)27-20-9-3-4-10-21(20)28-24/h1-4,7-10,17,26H,5-6,11-16H2
InChIKeyOQUHHHYKOAPLEY-UHFFFAOYSA-N
XLogP3.67
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1H-indol-2-yl-[4-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

1H-indol-2-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 134120748
1H-indol-2-yl-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060454
[4-(3-chlorophenyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 9208332
1H-indol-2-yl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone
CID 7015548
1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-5-piperidin-1-ylpentane-1,5-dione
CID 29140624
4-(1H-indole-2-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 34224299
1H-indol-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 47003021
1H-indol-2-yl(morpholin-4-yl)methanone
CID 825286
(2S)-2-amino-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 119767401
[4-(1H-indole-2-carbonyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119314153
1H-indol-2-yl-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 54975611
4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid
CID 119251399

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-[4-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of 1H-indol-2-yl-[4-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperazin-1-yl]methanone (CID 154835068) is 1H-indol-2-yl-[4-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for 1H-indol-2-yl-[4-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for 1H-indol-2-yl-[4-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperazin-1-yl]methanone is O=C(c1cc2ccccc2[nH]1)N1CCN(c2nc3ccccc3nc2N2CCCC2)CC1.
What is the InChIKey of 1H-indol-2-yl-[4-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperazin-1-yl]methanone?
The InChIKey is OQUHHHYKOAPLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c32-25(22-17-18-7-1-2-8-19(18)26-22)31-15-13-30(14-16-31)24-23(29-11-5-6-12-29)27-20-9-3-4-10-21(20)28-24/h1-4,7-10,17,26H,5-6,11-16H2.
What are the key properties of 1H-indol-2-yl-[4-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperazin-1-yl]methanone?
1H-indol-2-yl-[4-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperazin-1-yl]methanone has a molecular weight of 426.52 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-[4-(3-pyrrolidin-1-ylquinoxalin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 154835068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).