(4-chlorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate

C18H15ClN2O2 — CID 6459752

IUPAC(4-chlorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate
SMILESCc1nc2ccc(C(=O)OCc3ccc(Cl)cc3)cc2nc1C
InChIInChI=1S/C18H15ClN2O2/c1-11-12(2)21-17-9-14(5-8-16(17)20-11)18(22)23-10-13-3-6-15(19)7-4-13/h3-9H,10H2,1-2H3
InChIKeySMDOXOQJPGNBFT-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.26
Rot. Bonds3

About (4-chlorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate

(4-chlorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate (PubChem CID 6459752) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate
PubChem CID6459752
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name(4-chlorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate
SMILESCc1nc2ccc(C(=O)OCc3ccc(Cl)cc3)cc2nc1C
InChIInChI=1S/C18H15ClN2O2/c1-11-12(2)21-17-9-14(5-8-16(17)20-11)18(22)23-10-13-3-6-15(19)7-4-13/h3-9H,10H2,1-2H3
InChIKeySMDOXOQJPGNBFT-UHFFFAOYSA-N
XLogP4.26
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 7716680
(4-chlorophenyl)methyl 3,4-dichlorobenzoate
CID 977859
[2-(2-chlorophenyl)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8656943
(4-chlorophenyl)methyl 4-amino-3-chlorobenzoate
CID 64687569
(4-chlorophenyl)methyl 3-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
CID 50888431
2-propan-2-yloxyethyl 2,3-dimethylquinoxaline-6-carboxylate
CID 71944013
(3-methylquinoxalin-2-yl)methyl 3,4-difluorobenzoate
CID 18194516
(4-chlorophenyl)methyl 4-(trifluoromethyl)benzoate
CID 599354
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8656703
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108542124
[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 2996247
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 55545711

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate?
The IUPAC name of (4-chlorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate (CID 6459752) is (4-chlorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate.
What is the SMILES notation for (4-chlorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate?
The canonical SMILES for (4-chlorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate is Cc1nc2ccc(C(=O)OCc3ccc(Cl)cc3)cc2nc1C.
What is the InChIKey of (4-chlorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate?
The InChIKey is SMDOXOQJPGNBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-11-12(2)21-17-9-14(5-8-16(17)20-11)18(22)23-10-13-3-6-15(19)7-4-13/h3-9H,10H2,1-2H3.
What are the key properties of (4-chlorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate?
(4-chlorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate has a molecular weight of 326.78 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 2,3-dimethylquinoxaline-6-carboxylate is sourced from PubChem (CID 6459752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).