[2-(dicyclopropylmethylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate

C19H19ClN2O3 — CID 55998119

IUPAC[2-(dicyclopropylmethylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
SMILESO=C(COC(=O)c1ccc2nc(Cl)ccc2c1)NC(C1CC1)C1CC1
InChIInChI=1S/C19H19ClN2O3/c20-16-8-6-13-9-14(5-7-15(13)21-16)19(24)25-10-17(23)22-18(11-1-2-11)12-3-4-12/h5-9,11-12,18H,1-4,10H2,(H,22,23)
InChIKeyPEDMYWLLIVUEFX-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.35
Rot. Bonds6

About [2-(dicyclopropylmethylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate

[2-(dicyclopropylmethylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate (PubChem CID 55998119) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is [2-(dicyclopropylmethylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate.

Molecular Properties

Compound Name[2-(dicyclopropylmethylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
PubChem CID55998119
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name[2-(dicyclopropylmethylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
SMILESO=C(COC(=O)c1ccc2nc(Cl)ccc2c1)NC(C1CC1)C1CC1
InChIInChI=1S/C19H19ClN2O3/c20-16-8-6-13-9-14(5-7-15(13)21-16)19(24)25-10-17(23)22-18(11-1-2-11)12-3-4-12/h5-9,11-12,18H,1-4,10H2,(H,22,23)
InChIKeyPEDMYWLLIVUEFX-UHFFFAOYSA-N
XLogP3.35
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.35
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-ethylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55730169
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55999990
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55998640
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55998914
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55998781
[2-oxo-2-(2-phenylanilino)ethyl] 2-chloroquinoline-6-carboxylate
CID 55730349
[2-(furan-2-carbonylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55999322
cyanomethyl 2-chloroquinoline-6-carboxylate
CID 55730303
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55730259
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55730099
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55998394
[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl] 2-chloroquinoline-6-carboxylate
CID 55730065

Frequently Asked Questions

What is the IUPAC name of [2-(dicyclopropylmethylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate?
The IUPAC name of [2-(dicyclopropylmethylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate (CID 55998119) is [2-(dicyclopropylmethylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate.
What is the SMILES notation for [2-(dicyclopropylmethylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate?
The canonical SMILES for [2-(dicyclopropylmethylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate is O=C(COC(=O)c1ccc2nc(Cl)ccc2c1)NC(C1CC1)C1CC1.
What is the InChIKey of [2-(dicyclopropylmethylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate?
The InChIKey is PEDMYWLLIVUEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-16-8-6-13-9-14(5-7-15(13)21-16)19(24)25-10-17(23)22-18(11-1-2-11)12-3-4-12/h5-9,11-12,18H,1-4,10H2,(H,22,23).
What are the key properties of [2-(dicyclopropylmethylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate?
[2-(dicyclopropylmethylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate has a molecular weight of 358.83 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dicyclopropylmethylamino)-2-oxoethyl] 2-chloroquinoline-6-carboxylate is sourced from PubChem (CID 55998119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).