sodium 4-chloro-6-methylquinoline-3-carboxylate

C11H7ClNNaO2 — CID 23678977

IUPACsodium 4-chloro-6-methylquinoline-3-carboxylate
SMILESCc1ccc2ncc(C(=O)[O-])c(Cl)c2c1.[Na+]
InChIInChI=1S/C11H8ClNO2.Na/c1-6-2-3-9-7(4-6)10(12)8(5-13-9)11(14)15;/h2-5H,1H3,(H,14,15);/q;+1/p-1
InChIKeySEZXASCEJFXHIW-UHFFFAOYSA-M
MW243.62 g/mol
LogP-1.44
Rot. Bonds1

About sodium 4-chloro-6-methylquinoline-3-carboxylate

sodium 4-chloro-6-methylquinoline-3-carboxylate (PubChem CID 23678977) has the molecular formula C11H7ClNNaO2 and a molecular weight of 243.62 g/mol. Its IUPAC name is sodium 4-chloro-6-methylquinoline-3-carboxylate.

Molecular Properties

Compound Namesodium 4-chloro-6-methylquinoline-3-carboxylate
PubChem CID23678977
Molecular FormulaC11H7ClNNaO2
Molecular Weight243.62 g/mol
Exact Mass243.01
IUPAC Namesodium 4-chloro-6-methylquinoline-3-carboxylate
SMILESCc1ccc2ncc(C(=O)[O-])c(Cl)c2c1.[Na+]
InChIInChI=1S/C11H8ClNO2.Na/c1-6-2-3-9-7(4-6)10(12)8(5-13-9)11(14)15;/h2-5H,1H3,(H,14,15);/q;+1/p-1
InChIKeySEZXASCEJFXHIW-UHFFFAOYSA-M
XLogP-1.44
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.62
LogP ≤ 5-1.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 4-chloro-6-methylquinoline-3-carboxylate?
The IUPAC name of sodium 4-chloro-6-methylquinoline-3-carboxylate (CID 23678977) is sodium 4-chloro-6-methylquinoline-3-carboxylate.
What is the SMILES notation for sodium 4-chloro-6-methylquinoline-3-carboxylate?
The canonical SMILES for sodium 4-chloro-6-methylquinoline-3-carboxylate is Cc1ccc2ncc(C(=O)[O-])c(Cl)c2c1.[Na+].
What is the InChIKey of sodium 4-chloro-6-methylquinoline-3-carboxylate?
The InChIKey is SEZXASCEJFXHIW-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H8ClNO2.Na/c1-6-2-3-9-7(4-6)10(12)8(5-13-9)11(14)15;/h2-5H,1H3,(H,14,15);/q;+1/p-1.
What are the key properties of sodium 4-chloro-6-methylquinoline-3-carboxylate?
sodium 4-chloro-6-methylquinoline-3-carboxylate has a molecular weight of 243.62 g/mol, XLogP of -1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-chloro-6-methylquinoline-3-carboxylate is sourced from PubChem (CID 23678977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).