[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] quinoline-2-carboxylate

C20H17ClN2O4 — CID 7891604

IUPAC[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] quinoline-2-carboxylate
SMILESCOc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C20H17ClN2O4/c1-12-9-17(18(26-2)10-14(12)21)23-19(24)11-27-20(25)16-8-7-13-5-3-4-6-15(13)22-16/h3-10H,11H2,1-2H3,(H,23,24)
InChIKeyBOHXOARMCOBDFT-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.00
Rot. Bonds5

About [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] quinoline-2-carboxylate

[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] quinoline-2-carboxylate (PubChem CID 7891604) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] quinoline-2-carboxylate.

Molecular Properties

Compound Name[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] quinoline-2-carboxylate
PubChem CID7891604
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Name[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] quinoline-2-carboxylate
SMILESCOc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C20H17ClN2O4/c1-12-9-17(18(26-2)10-14(12)21)23-19(24)11-27-20(25)16-8-7-13-5-3-4-6-15(13)22-16/h3-10H,11H2,1-2H3,(H,23,24)
InChIKeyBOHXOARMCOBDFT-UHFFFAOYSA-N
XLogP4.00
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 2391802
[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] quinoxaline-2-carboxylate
CID 23859774
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 23773445
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-nitrobenzoate
CID 2619519
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 35777195
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854133
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23802588
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 2-ethylsulfinylbenzoate
CID 7801501
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2636872
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 3,5-ditert-butylbenzoate
CID 2344672
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate
CID 7811497
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] quinoline-2-carboxylate
CID 4010843

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] quinoline-2-carboxylate?
The IUPAC name of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] quinoline-2-carboxylate (CID 7891604) is [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] quinoline-2-carboxylate.
What is the SMILES notation for [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] quinoline-2-carboxylate?
The canonical SMILES for [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] quinoline-2-carboxylate is COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1ccc2ccccc2n1.
What is the InChIKey of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] quinoline-2-carboxylate?
The InChIKey is BOHXOARMCOBDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c1-12-9-17(18(26-2)10-14(12)21)23-19(24)11-27-20(25)16-8-7-13-5-3-4-6-15(13)22-16/h3-10H,11H2,1-2H3,(H,23,24).
What are the key properties of [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] quinoline-2-carboxylate?
[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] quinoline-2-carboxylate has a molecular weight of 384.82 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] quinoline-2-carboxylate is sourced from PubChem (CID 7891604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).