2-methylpropyl 2-[[1-(3,4-dimethoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]amino]-4-methylpentanoate

C28H34N4O4 — CID 134184515

IUPAC2-methylpropyl 2-[[1-(3,4-dimethoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]amino]-4-methylpentanoate
SMILESCOc1ccc(-c2cnc3c(NC(CC(C)C)C(=O)OCC(C)C)nc4ccccc4n23)cc1OC
InChIInChI=1S/C28H34N4O4/c1-17(2)13-21(28(33)36-16-18(3)4)31-26-27-29-15-23(19-11-12-24(34-5)25(14-19)35-6)32(27)22-10-8-7-9-20(22)30-26/h7-12,14-15,17-18,21H,13,16H2,1-6H3,(H,30,31)
InChIKeyNHDJAPWKKXMCDN-UHFFFAOYSA-N
MW490.60 g/mol
LogP5.59
Rot. Bonds10

About 2-methylpropyl 2-[[1-(3,4-dimethoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]amino]-4-methylpentanoate

2-methylpropyl 2-[[1-(3,4-dimethoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]amino]-4-methylpentanoate (PubChem CID 134184515) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is 2-methylpropyl 2-[[1-(3,4-dimethoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]amino]-4-methylpentanoate.

Molecular Properties

Compound Name2-methylpropyl 2-[[1-(3,4-dimethoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]amino]-4-methylpentanoate
PubChem CID134184515
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC Name2-methylpropyl 2-[[1-(3,4-dimethoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]amino]-4-methylpentanoate
SMILESCOc1ccc(-c2cnc3c(NC(CC(C)C)C(=O)OCC(C)C)nc4ccccc4n23)cc1OC
InChIInChI=1S/C28H34N4O4/c1-17(2)13-21(28(33)36-16-18(3)4)31-26-27-29-15-23(19-11-12-24(34-5)25(14-19)35-6)32(27)22-10-8-7-9-20(22)30-26/h7-12,14-15,17-18,21H,13,16H2,1-6H3,(H,30,31)
InChIKeyNHDJAPWKKXMCDN-UHFFFAOYSA-N
XLogP5.59
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methylpropyl 2-[[1-(3,4-dimethoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]amino]-4-methylpentanoate with MolForge

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Related Compounds

N'-[1-(3-methoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]ethane-1,2-diamine
CID 67545571
N-[[3-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]methyl]acetamide
CID 66601608
N-(2-methylpropyl)-1-pyridin-4-ylimidazo[1,2-a]quinoxalin-4-amine
CID 66601348
1-(4-methoxy-2-methylphenyl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine
CID 66601356
methyl 4-methyl-2-[(3-methylquinoxalin-2-yl)amino]pentanoate
CID 62375037
5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol
CID 121457438
N-[cyclopropyl(pyridin-2-yl)methyl]-4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 163530972
2-ethyl-N-[3-[[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzoyl]amino]phenyl]pyrazole-3-carboxamide
CID 66601330
methyl 2-(2-methoxyanilino)-4-methylpentanoate
CID 54890361
ethyl 2-(2-methoxyanilino)-4-methylpentanoate
CID 54890505
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17033004
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

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[[1-(3,4-dimethoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]amino]-4-methylpentanoate?
The IUPAC name of 2-methylpropyl 2-[[1-(3,4-dimethoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]amino]-4-methylpentanoate (CID 134184515) is 2-methylpropyl 2-[[1-(3,4-dimethoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]amino]-4-methylpentanoate.
What is the SMILES notation for 2-methylpropyl 2-[[1-(3,4-dimethoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]amino]-4-methylpentanoate?
The canonical SMILES for 2-methylpropyl 2-[[1-(3,4-dimethoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]amino]-4-methylpentanoate is COc1ccc(-c2cnc3c(NC(CC(C)C)C(=O)OCC(C)C)nc4ccccc4n23)cc1OC.
What is the InChIKey of 2-methylpropyl 2-[[1-(3,4-dimethoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]amino]-4-methylpentanoate?
The InChIKey is NHDJAPWKKXMCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-17(2)13-21(28(33)36-16-18(3)4)31-26-27-29-15-23(19-11-12-24(34-5)25(14-19)35-6)32(27)22-10-8-7-9-20(22)30-26/h7-12,14-15,17-18,21H,13,16H2,1-6H3,(H,30,31).
What are the key properties of 2-methylpropyl 2-[[1-(3,4-dimethoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]amino]-4-methylpentanoate?
2-methylpropyl 2-[[1-(3,4-dimethoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]amino]-4-methylpentanoate has a molecular weight of 490.60 g/mol, XLogP of 5.59, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[[1-(3,4-dimethoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]amino]-4-methylpentanoate is sourced from PubChem (CID 134184515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).