1-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)imidazo[1,2-a]quinoxalin-4-amine

C39H40N10O2 — CID 66614624

IUPAC1-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)imidazo[1,2-a]quinoxalin-4-amine
SMILESCC(C)CNc1nc2ccccc2n2c(-c3ccc4c(c3)OCO4)cnc12.CC(C)CNc1nc2ccccc2n2c(-c3cnn(C)c3)cnc12
InChIInChI=1S/C21H20N4O2.C18H20N6/c1-13(2)10-22-20-21-23-11-17(14-7-8-18-19(9-14)27-12-26-18)25(21)16-6-4-3-5-15(16)24-20;1-12(2)8-19-17-18-20-10-16(13-9-21-23(3)11-13)24(18)15-7-5-4-6-14(15)22-17/h3-9,11,13H,10,12H2,1-2H3,(H,22,24);4-7,9-12H,8H2,1-3H3,(H,19,22)
InChIKeyFQODZFZUAKSJDQ-UHFFFAOYSA-N
MW680.82 g/mol
LogP7.70
Rot. Bonds8

About 1-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)imidazo[1,2-a]quinoxalin-4-amine

1-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)imidazo[1,2-a]quinoxalin-4-amine (PubChem CID 66614624) has the molecular formula C39H40N10O2 and a molecular weight of 680.82 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)imidazo[1,2-a]quinoxalin-4-amine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)imidazo[1,2-a]quinoxalin-4-amine
PubChem CID66614624
Molecular FormulaC39H40N10O2
Molecular Weight680.82 g/mol
Exact Mass680.33
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)imidazo[1,2-a]quinoxalin-4-amine
SMILESCC(C)CNc1nc2ccccc2n2c(-c3ccc4c(c3)OCO4)cnc12.CC(C)CNc1nc2ccccc2n2c(-c3cnn(C)c3)cnc12
InChIInChI=1S/C21H20N4O2.C18H20N6/c1-13(2)10-22-20-21-23-11-17(14-7-8-18-19(9-14)27-12-26-18)25(21)16-6-4-3-5-15(16)24-20;1-12(2)8-19-17-18-20-10-16(13-9-21-23(3)11-13)24(18)15-7-5-4-6-14(15)22-17/h3-9,11,13H,10,12H2,1-2H3,(H,22,24);4-7,9-12H,8H2,1-3H3,(H,19,22)
InChIKeyFQODZFZUAKSJDQ-UHFFFAOYSA-N
XLogP7.70
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500680.82
LogP ≤ 57.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)imidazo[1,2-a]quinoxalin-4-amine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)imidazo[1,2-a]quinoxalin-4-amine (CID 66614624) is 1-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)imidazo[1,2-a]quinoxalin-4-amine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)imidazo[1,2-a]quinoxalin-4-amine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)imidazo[1,2-a]quinoxalin-4-amine is CC(C)CNc1nc2ccccc2n2c(-c3ccc4c(c3)OCO4)cnc12.CC(C)CNc1nc2ccccc2n2c(-c3cnn(C)c3)cnc12.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)imidazo[1,2-a]quinoxalin-4-amine?
The InChIKey is FQODZFZUAKSJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2.C18H20N6/c1-13(2)10-22-20-21-23-11-17(14-7-8-18-19(9-14)27-12-26-18)25(21)16-6-4-3-5-15(16)24-20;1-12(2)8-19-17-18-20-10-16(13-9-21-23(3)11-13)24(18)15-7-5-4-6-14(15)22-17/h3-9,11,13H,10,12H2,1-2H3,(H,22,24);4-7,9-12H,8H2,1-3H3,(H,19,22).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)imidazo[1,2-a]quinoxalin-4-amine?
1-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)imidazo[1,2-a]quinoxalin-4-amine has a molecular weight of 680.82 g/mol, XLogP of 7.70, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)imidazo[1,2-a]quinoxalin-4-amine;N-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)imidazo[1,2-a]quinoxalin-4-amine is sourced from PubChem (CID 66614624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).