8-[(2R,6S)-2-methyl-6-[[5-(2-oxopiperazin-1-yl)isoindol-2-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile

C27H27N7O2 — CID 146442950

IUPAC8-[(2R,6S)-2-methyl-6-[[5-(2-oxopiperazin-1-yl)isoindol-2-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3nccnc23)C[C@H](Cn2cc3ccc(N4CCNCC4=O)cc3c2)O1
InChIInChI=1S/C27H27N7O2/c1-18-13-33(24-5-3-19(11-28)26-27(24)31-7-6-30-26)17-23(36-18)16-32-14-20-2-4-22(10-21(20)15-32)34-9-8-29-12-25(34)35/h2-7,10,14-15,18,23,29H,8-9,12-13,16-17H2,1H3/t18-,23+/m1/s1
InChIKeyJMYQYTAHNXPDFS-JPYJTQIMSA-N
MW481.56 g/mol
LogP2.69
Rot. Bonds4

About 8-[(2R,6S)-2-methyl-6-[[5-(2-oxopiperazin-1-yl)isoindol-2-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile

8-[(2R,6S)-2-methyl-6-[[5-(2-oxopiperazin-1-yl)isoindol-2-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile (PubChem CID 146442950) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is 8-[(2R,6S)-2-methyl-6-[[5-(2-oxopiperazin-1-yl)isoindol-2-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile.

Molecular Properties

Compound Name8-[(2R,6S)-2-methyl-6-[[5-(2-oxopiperazin-1-yl)isoindol-2-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile
PubChem CID146442950
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC Name8-[(2R,6S)-2-methyl-6-[[5-(2-oxopiperazin-1-yl)isoindol-2-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile
SMILESC[C@@H]1CN(c2ccc(C#N)c3nccnc23)C[C@H](Cn2cc3ccc(N4CCNCC4=O)cc3c2)O1
InChIInChI=1S/C27H27N7O2/c1-18-13-33(24-5-3-19(11-28)26-27(24)31-7-6-30-26)17-23(36-18)16-32-14-20-2-4-22(10-21(20)15-32)34-9-8-29-12-25(34)35/h2-7,10,14-15,18,23,29H,8-9,12-13,16-17H2,1H3/t18-,23+/m1/s1
InChIKeyJMYQYTAHNXPDFS-JPYJTQIMSA-N
XLogP2.69
TPSA99.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-[(2R,6S)-2-methyl-6-[[5-(2-oxopiperazin-1-yl)isoindol-2-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(2S)-2-[(4-hydroxypiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile
CID 146329690
8-[2-(azetidin-3-ylsulfanylmethyl)-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile
CID 146329572
5-[(2R,6S)-2-methyl-6-(piperazin-1-ylmethyl)morpholin-4-yl]quinoline-8-carbonitrile
CID 118007081
8-[(2S,6R)-2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoxaline-5-carbonitrile
CID 146329141
5-[(2R,6R)-2-methyl-6-[[(2S)-2-methyl-3-oxopiperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007256
5-[(2R,6S)-2-methyl-6-[[(2S)-2-methyl-3-oxopiperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 122504681
5-[2-methyl-6-[[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)piperazin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 146275701
8-[2-methyl-6-[[4-[(6S)-6-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile
CID 146276005
(2S)-N-[[(2S,6R)-4-(8-cyanoquinoxalin-5-yl)-6-methylmorpholin-2-yl]methyl]-2-hydroxypropanamide
CID 146329223
8-[2-methyl-6-[[4-[(8R)-8-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-3-yl]piperazin-1-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile
CID 146275941
5-[(2R,6S)-2-methyl-6-[[8-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 146275872
7-[(2R,6S)-2-methyl-6-[(5-piperazin-1-yl-1,3-dihydroisoindol-2-yl)methyl]morpholin-4-yl]-1,3-benzothiazole-4-carbonitrile
CID 146442895

Frequently Asked Questions

What is the IUPAC name of 8-[(2R,6S)-2-methyl-6-[[5-(2-oxopiperazin-1-yl)isoindol-2-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile?
The IUPAC name of 8-[(2R,6S)-2-methyl-6-[[5-(2-oxopiperazin-1-yl)isoindol-2-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile (CID 146442950) is 8-[(2R,6S)-2-methyl-6-[[5-(2-oxopiperazin-1-yl)isoindol-2-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile.
What is the SMILES notation for 8-[(2R,6S)-2-methyl-6-[[5-(2-oxopiperazin-1-yl)isoindol-2-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile?
The canonical SMILES for 8-[(2R,6S)-2-methyl-6-[[5-(2-oxopiperazin-1-yl)isoindol-2-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile is C[C@@H]1CN(c2ccc(C#N)c3nccnc23)C[C@H](Cn2cc3ccc(N4CCNCC4=O)cc3c2)O1.
What is the InChIKey of 8-[(2R,6S)-2-methyl-6-[[5-(2-oxopiperazin-1-yl)isoindol-2-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile?
The InChIKey is JMYQYTAHNXPDFS-JPYJTQIMSA-N. The full InChI is InChI=1S/C27H27N7O2/c1-18-13-33(24-5-3-19(11-28)26-27(24)31-7-6-30-26)17-23(36-18)16-32-14-20-2-4-22(10-21(20)15-32)34-9-8-29-12-25(34)35/h2-7,10,14-15,18,23,29H,8-9,12-13,16-17H2,1H3/t18-,23+/m1/s1.
What are the key properties of 8-[(2R,6S)-2-methyl-6-[[5-(2-oxopiperazin-1-yl)isoindol-2-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile?
8-[(2R,6S)-2-methyl-6-[[5-(2-oxopiperazin-1-yl)isoindol-2-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile has a molecular weight of 481.56 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R,6S)-2-methyl-6-[[5-(2-oxopiperazin-1-yl)isoindol-2-yl]methyl]morpholin-4-yl]quinoxaline-5-carbonitrile is sourced from PubChem (CID 146442950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).