potassium 1,3-dichloro-8-ethyl-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate

C18H14Cl2KNO3 — CID 23711182

IUPACpotassium 1,3-dichloro-8-ethyl-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate
SMILESCCc1cccc2c1OC1C(C(=O)[O-])Nc3cc(Cl)cc(Cl)c3C21.[K+]
InChIInChI=1S/C18H15Cl2NO3.K/c1-2-8-4-3-5-10-13-14-11(20)6-9(19)7-12(14)21-15(18(22)23)17(13)24-16(8)10;/h3-7,13,15,17,21H,2H2,1H3,(H,22,23);/q;+1/p-1
InChIKeyOVYOGXCBOMJEPH-UHFFFAOYSA-M
MW402.32 g/mol
LogP-0.00
Rot. Bonds2

About potassium 1,3-dichloro-8-ethyl-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate

potassium 1,3-dichloro-8-ethyl-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate (PubChem CID 23711182) has the molecular formula C18H14Cl2KNO3 and a molecular weight of 402.32 g/mol. Its IUPAC name is potassium 1,3-dichloro-8-ethyl-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate.

Molecular Properties

Compound Namepotassium 1,3-dichloro-8-ethyl-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate
PubChem CID23711182
Molecular FormulaC18H14Cl2KNO3
Molecular Weight402.32 g/mol
Exact Mass401.00
IUPAC Namepotassium 1,3-dichloro-8-ethyl-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate
SMILESCCc1cccc2c1OC1C(C(=O)[O-])Nc3cc(Cl)cc(Cl)c3C21.[K+]
InChIInChI=1S/C18H15Cl2NO3.K/c1-2-8-4-3-5-10-13-14-11(20)6-9(19)7-12(14)21-15(18(22)23)17(13)24-16(8)10;/h3-7,13,15,17,21H,2H2,1H3,(H,22,23);/q;+1/p-1
InChIKeyOVYOGXCBOMJEPH-UHFFFAOYSA-M
XLogP-0.00
TPSA61.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.32
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze potassium 1,3-dichloro-8-ethyl-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium 1,3-dichloro-8-ethyl-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate?
The IUPAC name of potassium 1,3-dichloro-8-ethyl-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate (CID 23711182) is potassium 1,3-dichloro-8-ethyl-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate.
What is the SMILES notation for potassium 1,3-dichloro-8-ethyl-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate?
The canonical SMILES for potassium 1,3-dichloro-8-ethyl-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate is CCc1cccc2c1OC1C(C(=O)[O-])Nc3cc(Cl)cc(Cl)c3C21.[K+].
What is the InChIKey of potassium 1,3-dichloro-8-ethyl-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate?
The InChIKey is OVYOGXCBOMJEPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15Cl2NO3.K/c1-2-8-4-3-5-10-13-14-11(20)6-9(19)7-12(14)21-15(18(22)23)17(13)24-16(8)10;/h3-7,13,15,17,21H,2H2,1H3,(H,22,23);/q;+1/p-1.
What are the key properties of potassium 1,3-dichloro-8-ethyl-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate?
potassium 1,3-dichloro-8-ethyl-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate has a molecular weight of 402.32 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,3-dichloro-8-ethyl-5,6,6a,11b-tetrahydro-[1]benzofuro[2,3-c]quinoline-6-carboxylate is sourced from PubChem (CID 23711182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).