sodium 1-ethyl-5-(2-hydroxypropoxy)-4-oxo-8-propylquinoline-2-carboxylate

C18H22NNaO5 — CID 70515814

IUPACsodium 1-ethyl-5-(2-hydroxypropoxy)-4-oxo-8-propylquinoline-2-carboxylate
SMILESCCCc1ccc(OCC(C)O)c2c(=O)cc(C(=O)[O-])n(CC)c12.[Na+]
InChIInChI=1S/C18H23NO5.Na/c1-4-6-12-7-8-15(24-10-11(3)20)16-14(21)9-13(18(22)23)19(5-2)17(12)16;/h7-9,11,20H,4-6,10H2,1-3H3,(H,22,23);/q;+1/p-1
InChIKeyDIMJLGLWCCALRP-UHFFFAOYSA-M
MW355.37 g/mol
LogP-1.90
Rot. Bonds7

About sodium 1-ethyl-5-(2-hydroxypropoxy)-4-oxo-8-propylquinoline-2-carboxylate

sodium 1-ethyl-5-(2-hydroxypropoxy)-4-oxo-8-propylquinoline-2-carboxylate (PubChem CID 70515814) has the molecular formula C18H22NNaO5 and a molecular weight of 355.37 g/mol. Its IUPAC name is sodium 1-ethyl-5-(2-hydroxypropoxy)-4-oxo-8-propylquinoline-2-carboxylate.

Molecular Properties

Compound Namesodium 1-ethyl-5-(2-hydroxypropoxy)-4-oxo-8-propylquinoline-2-carboxylate
PubChem CID70515814
Molecular FormulaC18H22NNaO5
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Namesodium 1-ethyl-5-(2-hydroxypropoxy)-4-oxo-8-propylquinoline-2-carboxylate
SMILESCCCc1ccc(OCC(C)O)c2c(=O)cc(C(=O)[O-])n(CC)c12.[Na+]
InChIInChI=1S/C18H23NO5.Na/c1-4-6-12-7-8-15(24-10-11(3)20)16-14(21)9-13(18(22)23)19(5-2)17(12)16;/h7-9,11,20H,4-6,10H2,1-3H3,(H,22,23);/q;+1/p-1
InChIKeyDIMJLGLWCCALRP-UHFFFAOYSA-M
XLogP-1.90
TPSA91.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 5-1.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of sodium 1-ethyl-5-(2-hydroxypropoxy)-4-oxo-8-propylquinoline-2-carboxylate?
The IUPAC name of sodium 1-ethyl-5-(2-hydroxypropoxy)-4-oxo-8-propylquinoline-2-carboxylate (CID 70515814) is sodium 1-ethyl-5-(2-hydroxypropoxy)-4-oxo-8-propylquinoline-2-carboxylate.
What is the SMILES notation for sodium 1-ethyl-5-(2-hydroxypropoxy)-4-oxo-8-propylquinoline-2-carboxylate?
The canonical SMILES for sodium 1-ethyl-5-(2-hydroxypropoxy)-4-oxo-8-propylquinoline-2-carboxylate is CCCc1ccc(OCC(C)O)c2c(=O)cc(C(=O)[O-])n(CC)c12.[Na+].
What is the InChIKey of sodium 1-ethyl-5-(2-hydroxypropoxy)-4-oxo-8-propylquinoline-2-carboxylate?
The InChIKey is DIMJLGLWCCALRP-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H23NO5.Na/c1-4-6-12-7-8-15(24-10-11(3)20)16-14(21)9-13(18(22)23)19(5-2)17(12)16;/h7-9,11,20H,4-6,10H2,1-3H3,(H,22,23);/q;+1/p-1.
What are the key properties of sodium 1-ethyl-5-(2-hydroxypropoxy)-4-oxo-8-propylquinoline-2-carboxylate?
sodium 1-ethyl-5-(2-hydroxypropoxy)-4-oxo-8-propylquinoline-2-carboxylate has a molecular weight of 355.37 g/mol, XLogP of -1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-ethyl-5-(2-hydroxypropoxy)-4-oxo-8-propylquinoline-2-carboxylate is sourced from PubChem (CID 70515814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).