4-(2-aminoethyl)-6,7-dimethyl-3-methyliminoquinoxaline-2-carbaldehyde

C14H18N4O — CID 131978086

IUPAC4-(2-aminoethyl)-6,7-dimethyl-3-methyliminoquinoxaline-2-carbaldehyde
SMILESC/N=c1\c(C=O)nc2cc(C)c(C)cc2n1CCN
InChIInChI=1S/C14H18N4O/c1-9-6-11-13(7-10(9)2)18(5-4-15)14(16-3)12(8-19)17-11/h6-8H,4-5,15H2,1-3H3/b16-14+
InChIKeyCTIUHVBQBYCBNE-JQIJEIRASA-N
MW258.32 g/mol
LogP0.95
Rot. Bonds3

About 4-(2-aminoethyl)-6,7-dimethyl-3-methyliminoquinoxaline-2-carbaldehyde

4-(2-aminoethyl)-6,7-dimethyl-3-methyliminoquinoxaline-2-carbaldehyde (PubChem CID 131978086) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(2-aminoethyl)-6,7-dimethyl-3-methyliminoquinoxaline-2-carbaldehyde.

Molecular Properties

Compound Name4-(2-aminoethyl)-6,7-dimethyl-3-methyliminoquinoxaline-2-carbaldehyde
PubChem CID131978086
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-(2-aminoethyl)-6,7-dimethyl-3-methyliminoquinoxaline-2-carbaldehyde
SMILESC/N=c1\c(C=O)nc2cc(C)c(C)cc2n1CCN
InChIInChI=1S/C14H18N4O/c1-9-6-11-13(7-10(9)2)18(5-4-15)14(16-3)12(8-19)17-11/h6-8H,4-5,15H2,1-3H3/b16-14+
InChIKeyCTIUHVBQBYCBNE-JQIJEIRASA-N
XLogP0.95
TPSA73.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-6,7-dimethyl-3-methyliminoquinoxaline-2-carbaldehyde?
The IUPAC name of 4-(2-aminoethyl)-6,7-dimethyl-3-methyliminoquinoxaline-2-carbaldehyde (CID 131978086) is 4-(2-aminoethyl)-6,7-dimethyl-3-methyliminoquinoxaline-2-carbaldehyde.
What is the SMILES notation for 4-(2-aminoethyl)-6,7-dimethyl-3-methyliminoquinoxaline-2-carbaldehyde?
The canonical SMILES for 4-(2-aminoethyl)-6,7-dimethyl-3-methyliminoquinoxaline-2-carbaldehyde is C/N=c1\c(C=O)nc2cc(C)c(C)cc2n1CCN.
What is the InChIKey of 4-(2-aminoethyl)-6,7-dimethyl-3-methyliminoquinoxaline-2-carbaldehyde?
The InChIKey is CTIUHVBQBYCBNE-JQIJEIRASA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-6-11-13(7-10(9)2)18(5-4-15)14(16-3)12(8-19)17-11/h6-8H,4-5,15H2,1-3H3/b16-14+.
What are the key properties of 4-(2-aminoethyl)-6,7-dimethyl-3-methyliminoquinoxaline-2-carbaldehyde?
4-(2-aminoethyl)-6,7-dimethyl-3-methyliminoquinoxaline-2-carbaldehyde has a molecular weight of 258.32 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-6,7-dimethyl-3-methyliminoquinoxaline-2-carbaldehyde is sourced from PubChem (CID 131978086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).