lithium 8-methoxy-3-methylcinnoline-6-carboxylate

C11H9LiN2O3 — CID 168823639

IUPAClithium 8-methoxy-3-methylcinnoline-6-carboxylate
SMILESCOc1cc(C(=O)[O-])cc2cc(C)nnc12.[Li+]
InChIInChI=1S/C11H10N2O3.Li/c1-6-3-7-4-8(11(14)15)5-9(16-2)10(7)13-12-6;/h3-5H,1-2H3,(H,14,15);/q;+1/p-1
InChIKeySTTWQUHSDOJAEC-UHFFFAOYSA-M
MW224.14 g/mol
LogP-2.69
Rot. Bonds2

About lithium 8-methoxy-3-methylcinnoline-6-carboxylate

lithium 8-methoxy-3-methylcinnoline-6-carboxylate (PubChem CID 168823639) has the molecular formula C11H9LiN2O3 and a molecular weight of 224.14 g/mol. Its IUPAC name is lithium 8-methoxy-3-methylcinnoline-6-carboxylate.

Molecular Properties

Compound Namelithium 8-methoxy-3-methylcinnoline-6-carboxylate
PubChem CID168823639
Molecular FormulaC11H9LiN2O3
Molecular Weight224.14 g/mol
Exact Mass224.08
IUPAC Namelithium 8-methoxy-3-methylcinnoline-6-carboxylate
SMILESCOc1cc(C(=O)[O-])cc2cc(C)nnc12.[Li+]
InChIInChI=1S/C11H10N2O3.Li/c1-6-3-7-4-8(11(14)15)5-9(16-2)10(7)13-12-6;/h3-5H,1-2H3,(H,14,15);/q;+1/p-1
InChIKeySTTWQUHSDOJAEC-UHFFFAOYSA-M
XLogP-2.69
TPSA75.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 5-2.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-8-(trihydroxymethoxy)cinnoline-6-carboxylic acid
CID 156872796
3-methyl-8-(trifluoromethoxy)cinnoline-6-carboxylic acid
CID 156896077
methyl 3-fluoro-8-methoxycinnoline-6-carboxylate
CID 156872839
sodium;molecular hydrogen;3,4,5-trimethoxybenzoate
CID 145079800
methyl 8-methoxycinnoline-6-carboxylate
CID 156872747
lithium 3,5-dimethoxybenzoate
CID 19205782
ethyl 3-amino-8-methoxyquinoline-6-carboxylate
CID 156872720
methyl 2-fluoro-8-methoxy-3-methylquinoline-6-carboxylate
CID 156896227
3-ethoxy-4-methoxybenzoate
CID 7020473
N-[3,3-difluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxybutyl]-8-methoxy-3-methylcinnoline-6-carboxamide
CID 166807720
4,9-dimethoxyphenazine-2,7-dicarboxylic acid
CID 146380937
(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanone
CID 12623269

Frequently Asked Questions

What is the IUPAC name of lithium 8-methoxy-3-methylcinnoline-6-carboxylate?
The IUPAC name of lithium 8-methoxy-3-methylcinnoline-6-carboxylate (CID 168823639) is lithium 8-methoxy-3-methylcinnoline-6-carboxylate.
What is the SMILES notation for lithium 8-methoxy-3-methylcinnoline-6-carboxylate?
The canonical SMILES for lithium 8-methoxy-3-methylcinnoline-6-carboxylate is COc1cc(C(=O)[O-])cc2cc(C)nnc12.[Li+].
What is the InChIKey of lithium 8-methoxy-3-methylcinnoline-6-carboxylate?
The InChIKey is STTWQUHSDOJAEC-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10N2O3.Li/c1-6-3-7-4-8(11(14)15)5-9(16-2)10(7)13-12-6;/h3-5H,1-2H3,(H,14,15);/q;+1/p-1.
What are the key properties of lithium 8-methoxy-3-methylcinnoline-6-carboxylate?
lithium 8-methoxy-3-methylcinnoline-6-carboxylate has a molecular weight of 224.14 g/mol, XLogP of -2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 8-methoxy-3-methylcinnoline-6-carboxylate is sourced from PubChem (CID 168823639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).