ethyl 3-(3-chloroanilino)-6,7-dimethylquinoxaline-2-carboxylate

C19H18ClN3O2 — CID 50764977

IUPACethyl 3-(3-chloroanilino)-6,7-dimethylquinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1cccc(Cl)c1
InChIInChI=1S/C19H18ClN3O2/c1-4-25-19(24)17-18(21-14-7-5-6-13(20)10-14)23-16-9-12(3)11(2)8-15(16)22-17/h5-10H,4H2,1-3H3,(H,21,23)
InChIKeyQJKXKFZOWQSAHP-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.82
Rot. Bonds4

About ethyl 3-(3-chloroanilino)-6,7-dimethylquinoxaline-2-carboxylate

ethyl 3-(3-chloroanilino)-6,7-dimethylquinoxaline-2-carboxylate (PubChem CID 50764977) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is ethyl 3-(3-chloroanilino)-6,7-dimethylquinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3-chloroanilino)-6,7-dimethylquinoxaline-2-carboxylate
PubChem CID50764977
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Nameethyl 3-(3-chloroanilino)-6,7-dimethylquinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1cccc(Cl)c1
InChIInChI=1S/C19H18ClN3O2/c1-4-25-19(24)17-18(21-14-7-5-6-13(20)10-14)23-16-9-12(3)11(2)8-15(16)22-17/h5-10H,4H2,1-3H3,(H,21,23)
InChIKeyQJKXKFZOWQSAHP-UHFFFAOYSA-N
XLogP4.82
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate
CID 50764986
ethyl 3-(3-chloroanilino)benzoate
CID 82535753
ethyl 3-(3,4-difluoroanilino)quinoxaline-2-carboxylate
CID 50764897
ethyl 3-(3-chloroanilino)-5-methyl-1H-pyrazole-4-carboxylate
CID 14500687
propan-2-yl 6,7-dimethyl-3-(3-methylanilino)quinoxaline-2-carboxylate
CID 50765319
ethyl 2-(3-chloroanilino)benzoate
CID 70679381
ethyl 5-(3-chloroanilino)pyridine-3-carboxylate
CID 82535073
ethyl 6-chloro-4-(3-chloroanilino)quinoline-2-carboxylate
CID 46507263
propan-2-yl 3-(3-methoxyanilino)-6,7-dimethylquinoxaline-2-carboxylate
CID 50765326
ethyl 6,7-dimethyl-3-[(4-methylphenyl)methylamino]quinoxaline-2-carboxylate
CID 39886314
4-[(3-ethoxycarbonylquinoxalin-2-yl)amino]benzoic acid
CID 59113312
propyl 3-(1,3-benzodioxol-5-ylamino)-6,7-dimethylquinoxaline-2-carboxylate
CID 50765302

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-chloroanilino)-6,7-dimethylquinoxaline-2-carboxylate?
The IUPAC name of ethyl 3-(3-chloroanilino)-6,7-dimethylquinoxaline-2-carboxylate (CID 50764977) is ethyl 3-(3-chloroanilino)-6,7-dimethylquinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 3-(3-chloroanilino)-6,7-dimethylquinoxaline-2-carboxylate?
The canonical SMILES for ethyl 3-(3-chloroanilino)-6,7-dimethylquinoxaline-2-carboxylate is CCOC(=O)c1nc2cc(C)c(C)cc2nc1Nc1cccc(Cl)c1.
What is the InChIKey of ethyl 3-(3-chloroanilino)-6,7-dimethylquinoxaline-2-carboxylate?
The InChIKey is QJKXKFZOWQSAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-4-25-19(24)17-18(21-14-7-5-6-13(20)10-14)23-16-9-12(3)11(2)8-15(16)22-17/h5-10H,4H2,1-3H3,(H,21,23).
What are the key properties of ethyl 3-(3-chloroanilino)-6,7-dimethylquinoxaline-2-carboxylate?
ethyl 3-(3-chloroanilino)-6,7-dimethylquinoxaline-2-carboxylate has a molecular weight of 355.83 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-chloroanilino)-6,7-dimethylquinoxaline-2-carboxylate is sourced from PubChem (CID 50764977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).