propan-2-yl 3-(3-chloro-4-methylanilino)quinoxaline-2-carboxylate

C19H18ClN3O2 — CID 50765149

IUPACpropan-2-yl 3-(3-chloro-4-methylanilino)quinoxaline-2-carboxylate
SMILESCc1ccc(Nc2nc3ccccc3nc2C(=O)OC(C)C)cc1Cl
InChIInChI=1S/C19H18ClN3O2/c1-11(2)25-19(24)17-18(21-13-9-8-12(3)14(20)10-13)23-16-7-5-4-6-15(16)22-17/h4-11H,1-3H3,(H,21,23)
InChIKeySTDORVRIMRPPEP-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.90
Rot. Bonds4

About propan-2-yl 3-(3-chloro-4-methylanilino)quinoxaline-2-carboxylate

propan-2-yl 3-(3-chloro-4-methylanilino)quinoxaline-2-carboxylate (PubChem CID 50765149) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is propan-2-yl 3-(3-chloro-4-methylanilino)quinoxaline-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-(3-chloro-4-methylanilino)quinoxaline-2-carboxylate
PubChem CID50765149
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Namepropan-2-yl 3-(3-chloro-4-methylanilino)quinoxaline-2-carboxylate
SMILESCc1ccc(Nc2nc3ccccc3nc2C(=O)OC(C)C)cc1Cl
InChIInChI=1S/C19H18ClN3O2/c1-11(2)25-19(24)17-18(21-13-9-8-12(3)14(20)10-13)23-16-7-5-4-6-15(16)22-17/h4-11H,1-3H3,(H,21,23)
InChIKeySTDORVRIMRPPEP-UHFFFAOYSA-N
XLogP4.90
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 ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 6,7-dimethyl-3-(3-methylanilino)quinoxaline-2-carboxylate
CID 50765319
propan-2-yl 3-(3-methoxyanilino)-6,7-dimethylquinoxaline-2-carboxylate
CID 50765326
ethyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate
CID 50764986
propan-2-yl 5-amino-2-(3-chloro-4-methylanilino)benzoate
CID 100646799
ethyl 3-(3,4-difluoroanilino)quinoxaline-2-carboxylate
CID 50764897
oxolan-2-ylmethyl 3-(3,4-dimethylanilino)quinoxaline-2-carboxylate
CID 50820793
[(2R)-oxolan-2-yl]methyl 3-(3-chloro-4-fluoroanilino)quinoxaline-2-carboxylate
CID 94070055
[3-(3,4-dichloroanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide
CID 2032383
methyl 5-amino-6-(3-chloro-4-methylanilino)pyridine-2-carboxylate
CID 114404980
ethyl 3-(3-chloroanilino)-6,7-dimethylquinoxaline-2-carboxylate
CID 50764977
[3-(3-chloro-4-methoxyanilino)quinoxalin-2-yl]-(3,4-dimethylphenyl)sulfonylazanide
CID 2036399
[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl] 2-(1H-benzimidazol-2-yl)benzoate
CID 23802896

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(3-chloro-4-methylanilino)quinoxaline-2-carboxylate?
The IUPAC name of propan-2-yl 3-(3-chloro-4-methylanilino)quinoxaline-2-carboxylate (CID 50765149) is propan-2-yl 3-(3-chloro-4-methylanilino)quinoxaline-2-carboxylate.
What is the SMILES notation for propan-2-yl 3-(3-chloro-4-methylanilino)quinoxaline-2-carboxylate?
The canonical SMILES for propan-2-yl 3-(3-chloro-4-methylanilino)quinoxaline-2-carboxylate is Cc1ccc(Nc2nc3ccccc3nc2C(=O)OC(C)C)cc1Cl.
What is the InChIKey of propan-2-yl 3-(3-chloro-4-methylanilino)quinoxaline-2-carboxylate?
The InChIKey is STDORVRIMRPPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-11(2)25-19(24)17-18(21-13-9-8-12(3)14(20)10-13)23-16-7-5-4-6-15(16)22-17/h4-11H,1-3H3,(H,21,23).
What are the key properties of propan-2-yl 3-(3-chloro-4-methylanilino)quinoxaline-2-carboxylate?
propan-2-yl 3-(3-chloro-4-methylanilino)quinoxaline-2-carboxylate has a molecular weight of 355.83 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(3-chloro-4-methylanilino)quinoxaline-2-carboxylate is sourced from PubChem (CID 50765149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).