[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] quinoxaline-2-carboxylate

C19H16ClN3O3 — CID 23860175

IUPAC[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] quinoxaline-2-carboxylate
SMILESCc1c(Cl)cccc1NC(=O)C(C)OC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C19H16ClN3O3/c1-11-13(20)6-5-9-14(11)23-18(24)12(2)26-19(25)17-10-21-15-7-3-4-8-16(15)22-17/h3-10,12H,1-2H3,(H,23,24)
InChIKeyZPSHRHVXEMFDCE-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.78
Rot. Bonds4

About [1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] quinoxaline-2-carboxylate

[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] quinoxaline-2-carboxylate (PubChem CID 23860175) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is [1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] quinoxaline-2-carboxylate.

Molecular Properties

Compound Name[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] quinoxaline-2-carboxylate
PubChem CID23860175
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Name[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] quinoxaline-2-carboxylate
SMILESCc1c(Cl)cccc1NC(=O)C(C)OC(=O)c1cnc2ccccc2n1
InChIInChI=1S/C19H16ClN3O3/c1-11-13(20)6-5-9-14(11)23-18(24)12(2)26-19(25)17-10-21-15-7-3-4-8-16(15)22-17/h3-10,12H,1-2H3,(H,23,24)
InChIKeyZPSHRHVXEMFDCE-UHFFFAOYSA-N
XLogP3.78
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2,3-dimethylanilino)-1-oxopropan-2-yl] quinoxaline-2-carboxylate
CID 23744733
[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] quinoxaline-2-carboxylate
CID 23744736
[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl] quinoxaline-2-carboxylate
CID 23773941
[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 5-chloro-2-fluorobenzoate
CID 8625417
[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 8540214
[1-(2-chloroanilino)-1-oxopropan-2-yl] 6-methylpyridine-3-carboxylate
CID 18149708
[1-(2-chloroanilino)-1-oxopropan-2-yl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 43015128
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide
CID 92646921
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 3-phenylprop-2-enoate
CID 5155564
[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate
CID 8953446
[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 3-(carbamoylamino)benzoate
CID 8570416

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] quinoxaline-2-carboxylate?
The IUPAC name of [1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] quinoxaline-2-carboxylate (CID 23860175) is [1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] quinoxaline-2-carboxylate.
What is the SMILES notation for [1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] quinoxaline-2-carboxylate?
The canonical SMILES for [1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] quinoxaline-2-carboxylate is Cc1c(Cl)cccc1NC(=O)C(C)OC(=O)c1cnc2ccccc2n1.
What is the InChIKey of [1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] quinoxaline-2-carboxylate?
The InChIKey is ZPSHRHVXEMFDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-11-13(20)6-5-9-14(11)23-18(24)12(2)26-19(25)17-10-21-15-7-3-4-8-16(15)22-17/h3-10,12H,1-2H3,(H,23,24).
What are the key properties of [1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] quinoxaline-2-carboxylate?
[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] quinoxaline-2-carboxylate has a molecular weight of 369.81 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] quinoxaline-2-carboxylate is sourced from PubChem (CID 23860175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).