N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-methylbutanamide

C18H22N4O — CID 89009592

IUPACN-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1nc2c(nc1C)-c1ccc(N)cc1CC2
InChIInChI=1S/C18H22N4O/c1-4-10(2)18(23)22-17-11(3)20-16-14-7-6-13(19)9-12(14)5-8-15(16)21-17/h6-7,9-10H,4-5,8,19H2,1-3H3,(H,21,22,23)
InChIKeyQMYRTSFQSILFLH-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.12
Rot. Bonds3

About N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-methylbutanamide

N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-methylbutanamide (PubChem CID 89009592) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-methylbutanamide
PubChem CID89009592
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1nc2c(nc1C)-c1ccc(N)cc1CC2
InChIInChI=1S/C18H22N4O/c1-4-10(2)18(23)22-17-11(3)20-16-14-7-6-13(19)9-12(14)5-8-15(16)21-17/h6-7,9-10H,4-5,8,19H2,1-3H3,(H,21,22,23)
InChIKeyQMYRTSFQSILFLH-UHFFFAOYSA-N
XLogP3.12
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-methylbutanamide?
The IUPAC name of N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-methylbutanamide (CID 89009592) is N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-methylbutanamide.
What is the SMILES notation for N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-methylbutanamide?
The canonical SMILES for N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-methylbutanamide is CCC(C)C(=O)Nc1nc2c(nc1C)-c1ccc(N)cc1CC2.
What is the InChIKey of N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-methylbutanamide?
The InChIKey is QMYRTSFQSILFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-4-10(2)18(23)22-17-11(3)20-16-14-7-6-13(19)9-12(14)5-8-15(16)21-17/h6-7,9-10H,4-5,8,19H2,1-3H3,(H,21,22,23).
What are the key properties of N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-methylbutanamide?
N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-methylbutanamide has a molecular weight of 310.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-amino-2-methyl-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-methylbutanamide is sourced from PubChem (CID 89009592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).