(3-methylquinoxalin-2-yl)methyl 1-methylindole-3-carboxylate

C20H17N3O2 — CID 39965742

IUPAC(3-methylquinoxalin-2-yl)methyl 1-methylindole-3-carboxylate
SMILESCc1nc2ccccc2nc1COC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C20H17N3O2/c1-13-18(22-17-9-5-4-8-16(17)21-13)12-25-20(24)15-11-23(2)19-10-6-3-7-14(15)19/h3-11H,12H2,1-2H3
InChIKeyDFXJSIDDBGKLFY-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.79
Rot. Bonds3

About (3-methylquinoxalin-2-yl)methyl 1-methylindole-3-carboxylate

(3-methylquinoxalin-2-yl)methyl 1-methylindole-3-carboxylate (PubChem CID 39965742) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is (3-methylquinoxalin-2-yl)methyl 1-methylindole-3-carboxylate.

Molecular Properties

Compound Name(3-methylquinoxalin-2-yl)methyl 1-methylindole-3-carboxylate
PubChem CID39965742
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name(3-methylquinoxalin-2-yl)methyl 1-methylindole-3-carboxylate
SMILESCc1nc2ccccc2nc1COC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C20H17N3O2/c1-13-18(22-17-9-5-4-8-16(17)21-13)12-25-20(24)15-11-23(2)19-10-6-3-7-14(15)19/h3-11H,12H2,1-2H3
InChIKeyDFXJSIDDBGKLFY-UHFFFAOYSA-N
XLogP3.79
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methylquinoxalin-2-yl)methyl 2-methylbenzoate
CID 18079246
(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-methylindole-3-carboxylate
CID 9380138
(3-methylquinoxalin-2-yl)methyl 2-hydroxy-5-methylbenzoate
CID 18199245
bis[(3-methylquinoxalin-2-yl)methyl] pyridine-2,6-dicarboxylate
CID 46795021
chloro 1-methylindole-3-carboxylate
CID 69132264
(3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
CID 18079281
(3-methylquinoxalin-2-yl)methyl 7-fluoro-2,3-dimethylquinoxaline-5-carboxylate
CID 75404250
hexyl 1-methylindole-3-carboxylate
CID 135057842
(3-methylquinoxalin-2-yl)methyl 2-phenoxypyridine-3-carboxylate
CID 18171096
[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 1-methylindole-3-carboxylate
CID 9380142
[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl 1-methylindole-3-carboxylate
CID 8817550
(3-methylquinoxalin-2-yl)methyl 3,4-difluorobenzoate
CID 18194516

Frequently Asked Questions

What is the IUPAC name of (3-methylquinoxalin-2-yl)methyl 1-methylindole-3-carboxylate?
The IUPAC name of (3-methylquinoxalin-2-yl)methyl 1-methylindole-3-carboxylate (CID 39965742) is (3-methylquinoxalin-2-yl)methyl 1-methylindole-3-carboxylate.
What is the SMILES notation for (3-methylquinoxalin-2-yl)methyl 1-methylindole-3-carboxylate?
The canonical SMILES for (3-methylquinoxalin-2-yl)methyl 1-methylindole-3-carboxylate is Cc1nc2ccccc2nc1COC(=O)c1cn(C)c2ccccc12.
What is the InChIKey of (3-methylquinoxalin-2-yl)methyl 1-methylindole-3-carboxylate?
The InChIKey is DFXJSIDDBGKLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-13-18(22-17-9-5-4-8-16(17)21-13)12-25-20(24)15-11-23(2)19-10-6-3-7-14(15)19/h3-11H,12H2,1-2H3.
What are the key properties of (3-methylquinoxalin-2-yl)methyl 1-methylindole-3-carboxylate?
(3-methylquinoxalin-2-yl)methyl 1-methylindole-3-carboxylate has a molecular weight of 331.38 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylquinoxalin-2-yl)methyl 1-methylindole-3-carboxylate is sourced from PubChem (CID 39965742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).