[2-(4-ethylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate

C20H17ClN2O3 — CID 55730169

IUPAC[2-(4-ethylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
SMILESCCc1ccc(NC(=O)COC(=O)c2ccc3nc(Cl)ccc3c2)cc1
InChIInChI=1S/C20H17ClN2O3/c1-2-13-3-7-16(8-4-13)22-19(24)12-26-20(25)15-5-9-17-14(11-15)6-10-18(21)23-17/h3-11H,2,12H2,1H3,(H,22,24)
InChIKeyXYQUXCKPWABHSB-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.25
Rot. Bonds5

About [2-(4-ethylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate

[2-(4-ethylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate (PubChem CID 55730169) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is [2-(4-ethylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate.

Molecular Properties

Compound Name[2-(4-ethylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
PubChem CID55730169
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name[2-(4-ethylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
SMILESCCc1ccc(NC(=O)COC(=O)c2ccc3nc(Cl)ccc3c2)cc1
InChIInChI=1S/C20H17ClN2O3/c1-2-13-3-7-16(8-4-13)22-19(24)12-26-20(25)15-5-9-17-14(11-15)6-10-18(21)23-17/h3-11H,2,12H2,1H3,(H,22,24)
InChIKeyXYQUXCKPWABHSB-UHFFFAOYSA-N
XLogP4.25
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55998781
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55730099
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55998914
[2-oxo-2-(2-phenylanilino)ethyl] 2-chloroquinoline-6-carboxylate
CID 55730349
[2-(dicyclopropylmethylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55998119
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55998640
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55999322
[2-(4-ethylanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991360
cyanomethyl 2-chloroquinoline-6-carboxylate
CID 55730303
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 4-ethylbenzoate
CID 7775505
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55999990
[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55999729

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate?
The IUPAC name of [2-(4-ethylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate (CID 55730169) is [2-(4-ethylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate.
What is the SMILES notation for [2-(4-ethylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate?
The canonical SMILES for [2-(4-ethylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate is CCc1ccc(NC(=O)COC(=O)c2ccc3nc(Cl)ccc3c2)cc1.
What is the InChIKey of [2-(4-ethylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate?
The InChIKey is XYQUXCKPWABHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c1-2-13-3-7-16(8-4-13)22-19(24)12-26-20(25)15-5-9-17-14(11-15)6-10-18(21)23-17/h3-11H,2,12H2,1H3,(H,22,24).
What are the key properties of [2-(4-ethylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate?
[2-(4-ethylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate has a molecular weight of 368.82 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate is sourced from PubChem (CID 55730169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).