5-[(2S,6R)-2-[[(1-ethyl-2-methylbenzimidazol-5-yl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile

C26H28N6O — CID 118006448

IUPAC5-[(2S,6R)-2-[[(1-ethyl-2-methylbenzimidazol-5-yl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
SMILESCCn1c(C)nc2cc(NC[C@H]3CN(c4ccc(C#N)c5ncccc45)C[C@@H](C)O3)ccc21
InChIInChI=1S/C26H28N6O/c1-4-32-18(3)30-23-12-20(8-10-25(23)32)29-14-21-16-31(15-17(2)33-21)24-9-7-19(13-27)26-22(24)6-5-11-28-26/h5-12,17,21,29H,4,14-16H2,1-3H3/t17-,21+/m1/s1
InChIKeyREQQCXBFPHVOGD-UTKZUKDTSA-N
MW440.55 g/mol
LogP4.49
Rot. Bonds5

About 5-[(2S,6R)-2-[[(1-ethyl-2-methylbenzimidazol-5-yl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile

5-[(2S,6R)-2-[[(1-ethyl-2-methylbenzimidazol-5-yl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile (PubChem CID 118006448) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 5-[(2S,6R)-2-[[(1-ethyl-2-methylbenzimidazol-5-yl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-[(2S,6R)-2-[[(1-ethyl-2-methylbenzimidazol-5-yl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
PubChem CID118006448
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name5-[(2S,6R)-2-[[(1-ethyl-2-methylbenzimidazol-5-yl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
SMILESCCn1c(C)nc2cc(NC[C@H]3CN(c4ccc(C#N)c5ncccc45)C[C@@H](C)O3)ccc21
InChIInChI=1S/C26H28N6O/c1-4-32-18(3)30-23-12-20(8-10-25(23)32)29-14-21-16-31(15-17(2)33-21)24-9-7-19(13-27)26-22(24)6-5-11-28-26/h5-12,17,21,29H,4,14-16H2,1-3H3/t17-,21+/m1/s1
InChIKeyREQQCXBFPHVOGD-UTKZUKDTSA-N
XLogP4.49
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[(2S,6R)-2-[[(1-ethyl-2-methylbenzimidazol-5-yl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

5-[(2R,6S)-2-methyl-6-[[(3-methyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118006692
5-[(2S,6S)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006633
5-[(2R,6S)-2-methyl-6-[[(6-phenyl-2-pyridinyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118006998
N-[[(2S,6R)-4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]methyl]-2,2-dimethylpropanamide
CID 118007348
5-[(2R,6R)-2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006574
5-[(2R,6S)-2-methyl-6-[[(2-methylcyclohexyl)amino]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007354
5-[(2S,6R)-2-[(4-ethylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006976
5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006562
5-[(2R,6R)-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007152
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-[(2R,6S)-2-methyl-6-[[(3R)-3-methylpyrrolidin-1-yl]methyl]morpholin-4-yl]quinoline-8-carbonitrile
CID 118007164

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6R)-2-[[(1-ethyl-2-methylbenzimidazol-5-yl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
The IUPAC name of 5-[(2S,6R)-2-[[(1-ethyl-2-methylbenzimidazol-5-yl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile (CID 118006448) is 5-[(2S,6R)-2-[[(1-ethyl-2-methylbenzimidazol-5-yl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile.
What is the SMILES notation for 5-[(2S,6R)-2-[[(1-ethyl-2-methylbenzimidazol-5-yl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
The canonical SMILES for 5-[(2S,6R)-2-[[(1-ethyl-2-methylbenzimidazol-5-yl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile is CCn1c(C)nc2cc(NC[C@H]3CN(c4ccc(C#N)c5ncccc45)C[C@@H](C)O3)ccc21.
What is the InChIKey of 5-[(2S,6R)-2-[[(1-ethyl-2-methylbenzimidazol-5-yl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
The InChIKey is REQQCXBFPHVOGD-UTKZUKDTSA-N. The full InChI is InChI=1S/C26H28N6O/c1-4-32-18(3)30-23-12-20(8-10-25(23)32)29-14-21-16-31(15-17(2)33-21)24-9-7-19(13-27)26-22(24)6-5-11-28-26/h5-12,17,21,29H,4,14-16H2,1-3H3/t17-,21+/m1/s1.
What are the key properties of 5-[(2S,6R)-2-[[(1-ethyl-2-methylbenzimidazol-5-yl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
5-[(2S,6R)-2-[[(1-ethyl-2-methylbenzimidazol-5-yl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile has a molecular weight of 440.55 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6R)-2-[[(1-ethyl-2-methylbenzimidazol-5-yl)amino]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 118006448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).