5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol

C17H14N4O2 — CID 121457438

IUPAC5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol
SMILESCNc1nc2ccccc2n2c(-c3cc(O)cc(O)c3)cnc12
InChIInChI=1S/C17H14N4O2/c1-18-16-17-19-9-15(10-6-11(22)8-12(23)7-10)21(17)14-5-3-2-4-13(14)20-16/h2-9,22-23H,1H3,(H,18,20)
InChIKeyVSJRCIRSFNEPRC-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.00
Rot. Bonds2

About 5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol

5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol (PubChem CID 121457438) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol
PubChem CID121457438
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol
SMILESCNc1nc2ccccc2n2c(-c3cc(O)cc(O)c3)cnc12
InChIInChI=1S/C17H14N4O2/c1-18-16-17-19-9-15(10-6-11(22)8-12(23)7-10)21(17)14-5-3-2-4-13(14)20-16/h2-9,22-23H,1H3,(H,18,20)
InChIKeyVSJRCIRSFNEPRC-UHFFFAOYSA-N
XLogP3.00
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-amino-4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,2-diol
CID 137051940
N-(2-methylpropyl)-1-pyridin-4-ylimidazo[1,2-a]quinoxalin-4-amine
CID 66601348
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
4-[4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]phenyl]-4-oxobutanamide
CID 161066976
N-(2-amino-2-oxoethyl)-4-[4-(2-methylpropylamino)imidazo[1,2-a]quinoxalin-1-yl]benzamide
CID 68763605
[4-(butylamino)imidazo[1,2-a]quinoxalin-1-yl]methanol
CID 141155093
2-methylpropyl 2-[[1-(3,4-dimethoxyphenyl)imidazo[1,2-a]quinoxalin-4-yl]amino]-4-methylpentanoate
CID 134184515
N,1,3-trimethylimidazo[1,5-a]quinoxalin-4-amine
CID 59956398
5-(1-propylbenzimidazol-2-yl)benzene-1,3-diol
CID 107704465
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
3,10-bis(4-methylphenyl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene
CID 54757875

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol?
The IUPAC name of 5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol (CID 121457438) is 5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol.
What is the SMILES notation for 5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol?
The canonical SMILES for 5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol is CNc1nc2ccccc2n2c(-c3cc(O)cc(O)c3)cnc12.
What is the InChIKey of 5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol?
The InChIKey is VSJRCIRSFNEPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-18-16-17-19-9-15(10-6-11(22)8-12(23)7-10)21(17)14-5-3-2-4-13(14)20-16/h2-9,22-23H,1H3,(H,18,20).
What are the key properties of 5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol?
5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol has a molecular weight of 306.33 g/mol, XLogP of 3.00, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methylamino)imidazo[1,2-a]quinoxalin-1-yl]benzene-1,3-diol is sourced from PubChem (CID 121457438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).