4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide

C26H31N5O2 — CID 55623134

IUPAC4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
SMILESCC1CN(Cc2ccc(C(=O)Nc3nc4ccccc4nc3N3CCCC3)cc2)CC(C)O1
InChIInChI=1S/C26H31N5O2/c1-18-15-30(16-19(2)33-18)17-20-9-11-21(12-10-20)26(32)29-24-25(31-13-5-6-14-31)28-23-8-4-3-7-22(23)27-24/h3-4,7-12,18-19H,5-6,13-17H2,1-2H3,(H,27,29,32)
InChIKeyFRCLUNLLZZVETQ-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.09
Rot. Bonds5

About 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide

4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide (PubChem CID 55623134) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
PubChem CID55623134
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
SMILESCC1CN(Cc2ccc(C(=O)Nc3nc4ccccc4nc3N3CCCC3)cc2)CC(C)O1
InChIInChI=1S/C26H31N5O2/c1-18-15-30(16-19(2)33-18)17-20-9-11-21(12-10-20)26(32)29-24-25(31-13-5-6-14-31)28-23-8-4-3-7-22(23)27-24/h3-4,7-12,18-19H,5-6,13-17H2,1-2H3,(H,27,29,32)
InChIKeyFRCLUNLLZZVETQ-UHFFFAOYSA-N
XLogP4.09
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyano-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 46683878
4-(dimethylsulfamoyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 46683851
(3R,5S)-5-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxolane-3-carboxamide
CID 100651271
N-(3-aminoquinoxalin-2-yl)-4-(piperidin-1-ylmethyl)benzamide;hydrochloride
CID 57395916
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 55843797
cis-(1R,2S)-2-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclopropane-1-carboxamide
CID 95934685
N-[4-(cyclopropylcarbamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 46404639
N-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55623885
N-(6-amino-3-pyridinyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 119515670
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 55637021
1-benzyl-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide
CID 154759959
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 55635677

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide?
The IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide (CID 55623134) is 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide.
What is the SMILES notation for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide?
The canonical SMILES for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide is CC1CN(Cc2ccc(C(=O)Nc3nc4ccccc4nc3N3CCCC3)cc2)CC(C)O1.
What is the InChIKey of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide?
The InChIKey is FRCLUNLLZZVETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-18-15-30(16-19(2)33-18)17-20-9-11-21(12-10-20)26(32)29-24-25(31-13-5-6-14-31)28-23-8-4-3-7-22(23)27-24/h3-4,7-12,18-19H,5-6,13-17H2,1-2H3,(H,27,29,32).
What are the key properties of 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide?
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide has a molecular weight of 445.57 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide is sourced from PubChem (CID 55623134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).