1-(2,3-dimethylquinoxalin-6-yl)ethanone;ethane;pyrimidine;2,4,6-trimethyl-1,3,5-triazine

C30H49N7O — CID 161430395

IUPAC1-(2,3-dimethylquinoxalin-6-yl)ethanone;ethane;pyrimidine;2,4,6-trimethyl-1,3,5-triazine
SMILESCC.CC.CC.CC.CC(=O)c1ccc2nc(C)c(C)nc2c1.Cc1nc(C)nc(C)n1.c1cncnc1
InChIInChI=1S/C12H12N2O.C6H9N3.C4H4N2.4C2H6/c1-7-8(2)14-12-6-10(9(3)15)4-5-11(12)13-7;1-4-7-5(2)9-6(3)8-4;1-2-5-4-6-3-1;4*1-2/h4-6H,1-3H3;1-3H3;1-4H;4*1-2H3
InChIKeyVXXWWGMOKYZRIH-UHFFFAOYSA-N
MW523.77 g/mol
LogP7.83
Rot. Bonds1

About 1-(2,3-dimethylquinoxalin-6-yl)ethanone;ethane;pyrimidine;2,4,6-trimethyl-1,3,5-triazine

1-(2,3-dimethylquinoxalin-6-yl)ethanone;ethane;pyrimidine;2,4,6-trimethyl-1,3,5-triazine (PubChem CID 161430395) has the molecular formula C30H49N7O and a molecular weight of 523.77 g/mol. Its IUPAC name is 1-(2,3-dimethylquinoxalin-6-yl)ethanone;ethane;pyrimidine;2,4,6-trimethyl-1,3,5-triazine.

Molecular Properties

Compound Name1-(2,3-dimethylquinoxalin-6-yl)ethanone;ethane;pyrimidine;2,4,6-trimethyl-1,3,5-triazine
PubChem CID161430395
Molecular FormulaC30H49N7O
Molecular Weight523.77 g/mol
Exact Mass523.40
IUPAC Name1-(2,3-dimethylquinoxalin-6-yl)ethanone;ethane;pyrimidine;2,4,6-trimethyl-1,3,5-triazine
SMILESCC.CC.CC.CC.CC(=O)c1ccc2nc(C)c(C)nc2c1.Cc1nc(C)nc(C)n1.c1cncnc1
InChIInChI=1S/C12H12N2O.C6H9N3.C4H4N2.4C2H6/c1-7-8(2)14-12-6-10(9(3)15)4-5-11(12)13-7;1-4-7-5(2)9-6(3)8-4;1-2-5-4-6-3-1;4*1-2/h4-6H,1-3H3;1-3H3;1-4H;4*1-2H3
InChIKeyVXXWWGMOKYZRIH-UHFFFAOYSA-N
XLogP7.83
TPSA107.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.77
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(2,3-dimethylquinoxalin-6-yl)ethanone;ethane;pyrimidine;2,4,6-trimethyl-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

IN-1130
CID 11676119
Methyl 1-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzoyl)piperidine-4-carboxylate
CID 23629645
1-[4-[(2,4-Diaminopyrido[3,2-d]pyrimidin-6-yl)methyl-prop-2-ynyl-amino]phenyl]ethanone
CID 457770
N-(6-methyl-2-pyridinyl)-6-quinoxalinecarboxamide
CID 829895
Methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-ethyl-amino]phenyl]carbonylpiperidine-4-carboxylate
CID 146675127
TbPTR1 inhibitor 1
CID 164517153
[4-[(2,4-Diaminopteridin-6-yl)methylamino]phenyl]-phenylmethanone
CID 168273041
4-[(2,4-diaminopteridin-6-yl)methylamino]-N-(2-phenylethyl)benzamide
CID 168294082
2-[p-[N-[2,4-Diaminopteridin-6-ylmethyl]-N-methylamino]benzoylamino]pentane
CID 393094
N-(4-acetylphenyl)-4-(3-pyridinyl)-2-pyrimidinamine
CID 14347036
3-((5-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)-1H-imidazol-2-yl)methylamino)benzamide
CID 16731561
3-((5-(6-ethylpyridin-2-yl)-4-(quinoxalin-6-yl)-1H-imidazol-2-yl)methylamino)benzamide
CID 16731562

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylquinoxalin-6-yl)ethanone;ethane;pyrimidine;2,4,6-trimethyl-1,3,5-triazine?
The IUPAC name of 1-(2,3-dimethylquinoxalin-6-yl)ethanone;ethane;pyrimidine;2,4,6-trimethyl-1,3,5-triazine (CID 161430395) is 1-(2,3-dimethylquinoxalin-6-yl)ethanone;ethane;pyrimidine;2,4,6-trimethyl-1,3,5-triazine.
What is the SMILES notation for 1-(2,3-dimethylquinoxalin-6-yl)ethanone;ethane;pyrimidine;2,4,6-trimethyl-1,3,5-triazine?
The canonical SMILES for 1-(2,3-dimethylquinoxalin-6-yl)ethanone;ethane;pyrimidine;2,4,6-trimethyl-1,3,5-triazine is CC.CC.CC.CC.CC(=O)c1ccc2nc(C)c(C)nc2c1.Cc1nc(C)nc(C)n1.c1cncnc1.
What is the InChIKey of 1-(2,3-dimethylquinoxalin-6-yl)ethanone;ethane;pyrimidine;2,4,6-trimethyl-1,3,5-triazine?
The InChIKey is VXXWWGMOKYZRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.C6H9N3.C4H4N2.4C2H6/c1-7-8(2)14-12-6-10(9(3)15)4-5-11(12)13-7;1-4-7-5(2)9-6(3)8-4;1-2-5-4-6-3-1;4*1-2/h4-6H,1-3H3;1-3H3;1-4H;4*1-2H3.
What are the key properties of 1-(2,3-dimethylquinoxalin-6-yl)ethanone;ethane;pyrimidine;2,4,6-trimethyl-1,3,5-triazine?
1-(2,3-dimethylquinoxalin-6-yl)ethanone;ethane;pyrimidine;2,4,6-trimethyl-1,3,5-triazine has a molecular weight of 523.77 g/mol, XLogP of 7.83, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylquinoxalin-6-yl)ethanone;ethane;pyrimidine;2,4,6-trimethyl-1,3,5-triazine is sourced from PubChem (CID 161430395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).