2-[4-[[methyl(quinoxalin-2-ylmethyl)amino]methyl]phenyl]benzamide

C24H22N4O — CID 170507615

IUPAC2-[4-[[methyl(quinoxalin-2-ylmethyl)amino]methyl]phenyl]benzamide
SMILESCN(Cc1ccc(-c2ccccc2C(N)=O)cc1)Cc1cnc2ccccc2n1
InChIInChI=1S/C24H22N4O/c1-28(16-19-14-26-22-8-4-5-9-23(22)27-19)15-17-10-12-18(13-11-17)20-6-2-3-7-21(20)24(25)29/h2-14H,15-16H2,1H3,(H2,25,29)
InChIKeyLDAZQXKKHAIPTE-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.03
Rot. Bonds6

About 2-[4-[[methyl(quinoxalin-2-ylmethyl)amino]methyl]phenyl]benzamide

2-[4-[[methyl(quinoxalin-2-ylmethyl)amino]methyl]phenyl]benzamide (PubChem CID 170507615) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-[4-[[methyl(quinoxalin-2-ylmethyl)amino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name2-[4-[[methyl(quinoxalin-2-ylmethyl)amino]methyl]phenyl]benzamide
PubChem CID170507615
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name2-[4-[[methyl(quinoxalin-2-ylmethyl)amino]methyl]phenyl]benzamide
SMILESCN(Cc1ccc(-c2ccccc2C(N)=O)cc1)Cc1cnc2ccccc2n1
InChIInChI=1S/C24H22N4O/c1-28(16-19-14-26-22-8-4-5-9-23(22)27-19)15-17-10-12-18(13-11-17)20-6-2-3-7-21(20)24(25)29/h2-14H,15-16H2,1H3,(H2,25,29)
InChIKeyLDAZQXKKHAIPTE-UHFFFAOYSA-N
XLogP4.03
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl(quinoxalin-2-ylmethyl)amino]methyl]phenyl]benzamide?
The IUPAC name of 2-[4-[[methyl(quinoxalin-2-ylmethyl)amino]methyl]phenyl]benzamide (CID 170507615) is 2-[4-[[methyl(quinoxalin-2-ylmethyl)amino]methyl]phenyl]benzamide.
What is the SMILES notation for 2-[4-[[methyl(quinoxalin-2-ylmethyl)amino]methyl]phenyl]benzamide?
The canonical SMILES for 2-[4-[[methyl(quinoxalin-2-ylmethyl)amino]methyl]phenyl]benzamide is CN(Cc1ccc(-c2ccccc2C(N)=O)cc1)Cc1cnc2ccccc2n1.
What is the InChIKey of 2-[4-[[methyl(quinoxalin-2-ylmethyl)amino]methyl]phenyl]benzamide?
The InChIKey is LDAZQXKKHAIPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-28(16-19-14-26-22-8-4-5-9-23(22)27-19)15-17-10-12-18(13-11-17)20-6-2-3-7-21(20)24(25)29/h2-14H,15-16H2,1H3,(H2,25,29).
What are the key properties of 2-[4-[[methyl(quinoxalin-2-ylmethyl)amino]methyl]phenyl]benzamide?
2-[4-[[methyl(quinoxalin-2-ylmethyl)amino]methyl]phenyl]benzamide has a molecular weight of 382.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl(quinoxalin-2-ylmethyl)amino]methyl]phenyl]benzamide is sourced from PubChem (CID 170507615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).