4-[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-4-oxobutanamide

C24H25N5O2 — CID 161066976

IUPAC4-[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-4-oxobutanamide
SMILESCC(C)CNc1nc2ccccc2n2c(-c3ccc(C(=O)CCC(N)=O)cc3)cnc12
InChIInChI=1S/C24H25N5O2/c1-15(2)13-26-23-24-27-14-20(29(24)19-6-4-3-5-18(19)28-23)16-7-9-17(10-8-16)21(30)11-12-22(25)31/h3-10,14-15H,11-13H2,1-2H3,(H2,25,31)(H,26,28)
InChIKeyUEDPRICEMHZEEF-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.07
Rot. Bonds8

About 4-[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-4-oxobutanamide

4-[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-4-oxobutanamide (PubChem CID 161066976) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-4-oxobutanamide
PubChem CID161066976
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name4-[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-4-oxobutanamide
SMILESCC(C)CNc1nc2ccccc2n2c(-c3ccc(C(=O)CCC(N)=O)cc3)cnc12
InChIInChI=1S/C24H25N5O2/c1-15(2)13-26-23-24-27-14-20(29(24)19-6-4-3-5-18(19)28-23)16-7-9-17(10-8-16)21(30)11-12-22(25)31/h3-10,14-15H,11-13H2,1-2H3,(H2,25,31)(H,26,28)
InChIKeyUEDPRICEMHZEEF-UHFFFAOYSA-N
XLogP4.07
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-2-oxoethyl)-4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 68763605
N-(2-methylpropyl)-1-pyridin-4-ylimidazo[1,2-a]quinoxalin-4-amine
CID 66601348
N-[cyclopropyl(pyridin-2-yl)methyl]-4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 163530972
N-[[3-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]methyl]acetamide
CID 66601608
2-ethyl-N-[3-[[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzoyl]amino]phenyl]pyrazole-3-carboxamide
CID 66601330
2-cyclopropyl-1-[4-[4-[3-(dimethylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone
CID 147534440
N-(2-methylpropyl)-1-(6-methyl-3-pyridinyl)imidazo[1,2-a]quinoxalin-4-amine;N-(2-methylpropyl)-1-(5-methylthiophen-2-yl)imidazo[1,2-a]quinoxalin-4-amine
CID 159532001
2-cyclopropyl-1-[4-[4-[(2-fluorophenyl)methylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone
CID 160776843
1-(4-methoxy-2-methylphenyl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine
CID 66601356
2-methylpropyl 2-[[1-(3,4-dimethoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]amino]-4-methylpentanoate
CID 134184515
5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol
CID 121457438
N'-[1-(3-methoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]ethane-1,2-diamine
CID 67545571

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-4-oxobutanamide?
The IUPAC name of 4-[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-4-oxobutanamide (CID 161066976) is 4-[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-4-oxobutanamide?
The canonical SMILES for 4-[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-4-oxobutanamide is CC(C)CNc1nc2ccccc2n2c(-c3ccc(C(=O)CCC(N)=O)cc3)cnc12.
What is the InChIKey of 4-[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-4-oxobutanamide?
The InChIKey is UEDPRICEMHZEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-15(2)13-26-23-24-27-14-20(29(24)19-6-4-3-5-18(19)28-23)16-7-9-17(10-8-16)21(30)11-12-22(25)31/h3-10,14-15H,11-13H2,1-2H3,(H2,25,31)(H,26,28).
What are the key properties of 4-[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-4-oxobutanamide?
4-[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-4-oxobutanamide has a molecular weight of 415.50 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-4-oxobutanamide is sourced from PubChem (CID 161066976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).