5-[2-[[4-[2-amino-6-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile

C26H31N7O2 — CID 146276321

IUPAC5-[2-[[4-[2-amino-6-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
SMILESCC1CN(c2ccc(C#N)c3ncccc23)CC(CN2CCN(c3cc(N)nc(CO)c3)CC2)O1
InChIInChI=1S/C26H31N7O2/c1-18-14-33(24-5-4-19(13-27)26-23(24)3-2-6-29-26)16-22(35-18)15-31-7-9-32(10-8-31)21-11-20(17-34)30-25(28)12-21/h2-6,11-12,18,22,34H,7-10,14-17H2,1H3,(H2,28,30)
InChIKeyZEPPKUNFBMGSJT-UHFFFAOYSA-N
MW473.58 g/mol
LogP1.99
Rot. Bonds5

About 5-[2-[[4-[2-amino-6-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile

5-[2-[[4-[2-amino-6-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile (PubChem CID 146276321) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 5-[2-[[4-[2-amino-6-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-[2-[[4-[2-amino-6-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
PubChem CID146276321
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC Name5-[2-[[4-[2-amino-6-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
SMILESCC1CN(c2ccc(C#N)c3ncccc23)CC(CN2CCN(c3cc(N)nc(CO)c3)CC2)O1
InChIInChI=1S/C26H31N7O2/c1-18-14-33(24-5-4-19(13-27)26-23(24)3-2-6-29-26)16-22(35-18)15-31-7-9-32(10-8-31)21-11-20(17-34)30-25(28)12-21/h2-6,11-12,18,22,34H,7-10,14-17H2,1H3,(H2,28,30)
InChIKeyZEPPKUNFBMGSJT-UHFFFAOYSA-N
XLogP1.99
TPSA114.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[2-[[4-[2-amino-6-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

5-[(2S,6R)-2-[[(2S)-4-[2-(hydroxymethyl)-6-methyl-4-pyridinyl]-2-methylpiperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 146276278
5-[2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 146275769
5-[(2R,6R)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007152
5-[(2S,6R)-2-[(4-ethylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006976
5-[(2S,6R)-2-[[3-[[2-(hydroxymethyl)-6-methyl-4-pyridinyl]methyl]pyrrolidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 161135910
5-[(2R,6R)-2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007077
5-[(2S,6R)-2-[(4-acetylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118007242
5-[(2R,6R)-2-methyl-6-(morpholin-4-ylmethyl)morpholin-4-yl]quinoline-8-carbonitrile
CID 118006463
5-[(2R,6S)-2-methyl-6-(piperazin-1-ylmethyl)morpholin-4-yl]quinoline-8-carbonitrile
CID 118007081
5-[(2S,6R)-2-[[4-[6-(4-aminopiperidin-1-yl)-2-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 156702824
5-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006633
5-[(2R,6R)-2-[[(3S)-3,4-dimethylpiperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118005811

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[4-[2-amino-6-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
The IUPAC name of 5-[2-[[4-[2-amino-6-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile (CID 146276321) is 5-[2-[[4-[2-amino-6-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile.
What is the SMILES notation for 5-[2-[[4-[2-amino-6-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
The canonical SMILES for 5-[2-[[4-[2-amino-6-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile is CC1CN(c2ccc(C#N)c3ncccc23)CC(CN2CCN(c3cc(N)nc(CO)c3)CC2)O1.
What is the InChIKey of 5-[2-[[4-[2-amino-6-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
The InChIKey is ZEPPKUNFBMGSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-18-14-33(24-5-4-19(13-27)26-23(24)3-2-6-29-26)16-22(35-18)15-31-7-9-32(10-8-31)21-11-20(17-34)30-25(28)12-21/h2-6,11-12,18,22,34H,7-10,14-17H2,1H3,(H2,28,30).
What are the key properties of 5-[2-[[4-[2-amino-6-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
5-[2-[[4-[2-amino-6-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile has a molecular weight of 473.58 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[4-[2-amino-6-(hydroxymethyl)-4-pyridinyl]piperazin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 146276321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).