N-[(E)-[1-(2-aminoethyl)-3-formyl-6,7-dimethylquinoxalin-2-ylidene]amino]-N-methylformamide;ethane

C17H25N5O2 — CID 145375694

IUPACN-[(E)-[1-(2-aminoethyl)-3-formyl-6,7-dimethylquinoxalin-2-ylidene]amino]-N-methylformamide;ethane
SMILESCC.Cc1cc2nc(C=O)/c(=N\N(C)C=O)n(CCN)c2cc1C
InChIInChI=1S/C15H19N5O2.C2H6/c1-10-6-12-14(7-11(10)2)20(5-4-16)15(13(8-21)17-12)18-19(3)9-22;1-2/h6-9H,4-5,16H2,1-3H3;1-2H3/b18-15+;
InChIKeyTWQSLUFZNAEYLC-FLNCGGNMSA-N
MW331.42 g/mol
LogP1.35
Rot. Bonds5

About N-[(E)-[1-(2-aminoethyl)-3-formyl-6,7-dimethylquinoxalin-2-ylidene]amino]-N-methylformamide;ethane

N-[(E)-[1-(2-aminoethyl)-3-formyl-6,7-dimethylquinoxalin-2-ylidene]amino]-N-methylformamide;ethane (PubChem CID 145375694) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(E)-[1-(2-aminoethyl)-3-formyl-6,7-dimethylquinoxalin-2-ylidene]amino]-N-methylformamide;ethane.

Molecular Properties

Compound NameN-[(E)-[1-(2-aminoethyl)-3-formyl-6,7-dimethylquinoxalin-2-ylidene]amino]-N-methylformamide;ethane
PubChem CID145375694
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-[(E)-[1-(2-aminoethyl)-3-formyl-6,7-dimethylquinoxalin-2-ylidene]amino]-N-methylformamide;ethane
SMILESCC.Cc1cc2nc(C=O)/c(=N\N(C)C=O)n(CCN)c2cc1C
InChIInChI=1S/C15H19N5O2.C2H6/c1-10-6-12-14(7-11(10)2)20(5-4-16)15(13(8-21)17-12)18-19(3)9-22;1-2/h6-9H,4-5,16H2,1-3H3;1-2H3/b18-15+;
InChIKeyTWQSLUFZNAEYLC-FLNCGGNMSA-N
XLogP1.35
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(E)-[1-(2-aminoethyl)-3-formyl-6,7-dimethylquinoxalin-2-ylidene]amino]-N-methylformamide;ethane with MolForge

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Related Compounds

4-(2-aminoethyl)-6,7-dimethyl-3-methyliminoquinoxaline-2-carbaldehyde
CID 131978086
2-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)ethanamine
CID 82145095
2-[[(E)-[1-(2-acetamidoethyl)-3-formyl-6,7-dimethylquinoxalin-2-ylidene]carbamoyl]-methylamino]ethyl-trimethylazanium
CID 131968517
2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine
CID 82145276
10-(2-aminoethyl)-7,8-dimethyl-3-propylbenzo[g]pteridine-2,4-dione
CID 90306732
1-[2-(dimethylamino)ethyl]-5,6-dimethylbenzimidazol-2-amine
CID 82359073
3-(2-aminoethyl)-7,8-dimethyl-10-[2-(3-methyloxiran-2-yl)ethyl]benzo[g]pteridine-2,4-dione
CID 145375712
2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanamine
CID 82145244
3-(5,6-dimethyl-2-propylbenzimidazol-1-yl)propan-1-amine
CID 82145072
5,6-dimethyl-1-propylbenzimidazol-2-amine
CID 82359039
2-ethyl-5,6-dimethyl-1-propylbenzimidazole
CID 143667898
2-[2-[(2,3-dimethylphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanamine
CID 82145306

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-(2-aminoethyl)-3-formyl-6,7-dimethylquinoxalin-2-ylidene]amino]-N-methylformamide;ethane?
The IUPAC name of N-[(E)-[1-(2-aminoethyl)-3-formyl-6,7-dimethylquinoxalin-2-ylidene]amino]-N-methylformamide;ethane (CID 145375694) is N-[(E)-[1-(2-aminoethyl)-3-formyl-6,7-dimethylquinoxalin-2-ylidene]amino]-N-methylformamide;ethane.
What is the SMILES notation for N-[(E)-[1-(2-aminoethyl)-3-formyl-6,7-dimethylquinoxalin-2-ylidene]amino]-N-methylformamide;ethane?
The canonical SMILES for N-[(E)-[1-(2-aminoethyl)-3-formyl-6,7-dimethylquinoxalin-2-ylidene]amino]-N-methylformamide;ethane is CC.Cc1cc2nc(C=O)/c(=N\N(C)C=O)n(CCN)c2cc1C.
What is the InChIKey of N-[(E)-[1-(2-aminoethyl)-3-formyl-6,7-dimethylquinoxalin-2-ylidene]amino]-N-methylformamide;ethane?
The InChIKey is TWQSLUFZNAEYLC-FLNCGGNMSA-N. The full InChI is InChI=1S/C15H19N5O2.C2H6/c1-10-6-12-14(7-11(10)2)20(5-4-16)15(13(8-21)17-12)18-19(3)9-22;1-2/h6-9H,4-5,16H2,1-3H3;1-2H3/b18-15+;.
What are the key properties of N-[(E)-[1-(2-aminoethyl)-3-formyl-6,7-dimethylquinoxalin-2-ylidene]amino]-N-methylformamide;ethane?
N-[(E)-[1-(2-aminoethyl)-3-formyl-6,7-dimethylquinoxalin-2-ylidene]amino]-N-methylformamide;ethane has a molecular weight of 331.42 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-(2-aminoethyl)-3-formyl-6,7-dimethylquinoxalin-2-ylidene]amino]-N-methylformamide;ethane is sourced from PubChem (CID 145375694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).