N-[[3-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]methyl]acetamide

C23H25N5O — CID 66601608

IUPACN-[[3-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2cnc3c(NCC(C)C)nc4ccccc4n23)c1
InChIInChI=1S/C23H25N5O/c1-15(2)12-25-22-23-26-14-21(28(23)20-10-5-4-9-19(20)27-22)18-8-6-7-17(11-18)13-24-16(3)29/h4-11,14-15H,12-13H2,1-3H3,(H,24,29)(H,25,27)
InChIKeyNESOMKOUBGUSFB-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.25
Rot. Bonds6

About N-[[3-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]methyl]acetamide

N-[[3-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]methyl]acetamide (PubChem CID 66601608) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[[3-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]methyl]acetamide
PubChem CID66601608
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-[[3-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(-c2cnc3c(NCC(C)C)nc4ccccc4n23)c1
InChIInChI=1S/C23H25N5O/c1-15(2)12-25-22-23-26-14-21(28(23)20-10-5-4-9-19(20)27-22)18-8-6-7-17(11-18)13-24-16(3)29/h4-11,14-15H,12-13H2,1-3H3,(H,24,29)(H,25,27)
InChIKeyNESOMKOUBGUSFB-UHFFFAOYSA-N
XLogP4.25
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]methyl]acetamide?
The IUPAC name of N-[[3-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]methyl]acetamide (CID 66601608) is N-[[3-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]methyl]acetamide is CC(=O)NCc1cccc(-c2cnc3c(NCC(C)C)nc4ccccc4n23)c1.
What is the InChIKey of N-[[3-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]methyl]acetamide?
The InChIKey is NESOMKOUBGUSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-15(2)12-25-22-23-26-14-21(28(23)20-10-5-4-9-19(20)27-22)18-8-6-7-17(11-18)13-24-16(3)29/h4-11,14-15H,12-13H2,1-3H3,(H,24,29)(H,25,27).
What are the key properties of N-[[3-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]methyl]acetamide?
N-[[3-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]methyl]acetamide has a molecular weight of 387.49 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 66601608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).