(3-methylquinoxalin-2-yl)methyl 2-phenoxypyridine-3-carboxylate

C22H17N3O3 — CID 18171096

IUPAC(3-methylquinoxalin-2-yl)methyl 2-phenoxypyridine-3-carboxylate
SMILESCc1nc2ccccc2nc1COC(=O)c1cccnc1Oc1ccccc1
InChIInChI=1S/C22H17N3O3/c1-15-20(25-19-12-6-5-11-18(19)24-15)14-27-22(26)17-10-7-13-23-21(17)28-16-8-3-2-4-9-16/h2-13H,14H2,1H3
InChIKeyPCOAEEZRFZNMNH-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.48
Rot. Bonds5

About (3-methylquinoxalin-2-yl)methyl 2-phenoxypyridine-3-carboxylate

(3-methylquinoxalin-2-yl)methyl 2-phenoxypyridine-3-carboxylate (PubChem CID 18171096) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is (3-methylquinoxalin-2-yl)methyl 2-phenoxypyridine-3-carboxylate.

Molecular Properties

Compound Name(3-methylquinoxalin-2-yl)methyl 2-phenoxypyridine-3-carboxylate
PubChem CID18171096
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name(3-methylquinoxalin-2-yl)methyl 2-phenoxypyridine-3-carboxylate
SMILESCc1nc2ccccc2nc1COC(=O)c1cccnc1Oc1ccccc1
InChIInChI=1S/C22H17N3O3/c1-15-20(25-19-12-6-5-11-18(19)24-15)14-27-22(26)17-10-7-13-23-21(17)28-16-8-3-2-4-9-16/h2-13H,14H2,1H3
InChIKeyPCOAEEZRFZNMNH-UHFFFAOYSA-N
XLogP4.48
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
CID 18079281
(3-methylquinoxalin-2-yl)methyl 2-methylbenzoate
CID 18079246
(2-methoxy-5-methylphenyl)methyl 2-phenoxypyridine-3-carboxylate
CID 18197147
bis[(3-methylquinoxalin-2-yl)methyl] pyridine-2,6-dicarboxylate
CID 46795021
(3-methylquinoxalin-2-yl)methyl 2-hydroxy-5-methylbenzoate
CID 18199245
(1-benzyltetrazol-5-yl)methyl 2-phenoxypyridine-3-carboxylate
CID 31582800
phenanthridin-6-ylmethyl 2-chloropyridine-3-carboxylate
CID 8834090
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
CID 55355394
(3-methylquinoxalin-2-yl)methyl 7-fluoro-2,3-dimethylquinoxaline-5-carboxylate
CID 75404250
(3-methylquinoxalin-2-yl)methyl 1-methylindole-3-carboxylate
CID 39965742
2-(2-fluorophenoxy)ethyl 2-phenoxypyridine-3-carboxylate
CID 39902767
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-phenoxypyridine-3-carboxylate
CID 18171085

Frequently Asked Questions

What is the IUPAC name of (3-methylquinoxalin-2-yl)methyl 2-phenoxypyridine-3-carboxylate?
The IUPAC name of (3-methylquinoxalin-2-yl)methyl 2-phenoxypyridine-3-carboxylate (CID 18171096) is (3-methylquinoxalin-2-yl)methyl 2-phenoxypyridine-3-carboxylate.
What is the SMILES notation for (3-methylquinoxalin-2-yl)methyl 2-phenoxypyridine-3-carboxylate?
The canonical SMILES for (3-methylquinoxalin-2-yl)methyl 2-phenoxypyridine-3-carboxylate is Cc1nc2ccccc2nc1COC(=O)c1cccnc1Oc1ccccc1.
What is the InChIKey of (3-methylquinoxalin-2-yl)methyl 2-phenoxypyridine-3-carboxylate?
The InChIKey is PCOAEEZRFZNMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-15-20(25-19-12-6-5-11-18(19)24-15)14-27-22(26)17-10-7-13-23-21(17)28-16-8-3-2-4-9-16/h2-13H,14H2,1H3.
What are the key properties of (3-methylquinoxalin-2-yl)methyl 2-phenoxypyridine-3-carboxylate?
(3-methylquinoxalin-2-yl)methyl 2-phenoxypyridine-3-carboxylate has a molecular weight of 371.40 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylquinoxalin-2-yl)methyl 2-phenoxypyridine-3-carboxylate is sourced from PubChem (CID 18171096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).