azane;6-methoxyquinoline-4-carboxylic acid

C11H12N2O3 — CID 67151937

IUPACazane;6-methoxyquinoline-4-carboxylic acid
SMILESCOc1ccc2nccc(C(=O)O)c2c1.N
InChIInChI=1S/C11H9NO3.H3N/c1-15-7-2-3-10-9(6-7)8(11(13)14)4-5-12-10;/h2-6H,1H3,(H,13,14);1H3
InChIKeyKGASKXZCRXQFLS-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.10
Rot. Bonds2

About azane;6-methoxyquinoline-4-carboxylic acid

azane;6-methoxyquinoline-4-carboxylic acid (PubChem CID 67151937) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is azane;6-methoxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Nameazane;6-methoxyquinoline-4-carboxylic acid
PubChem CID67151937
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Nameazane;6-methoxyquinoline-4-carboxylic acid
SMILESCOc1ccc2nccc(C(=O)O)c2c1.N
InChIInChI=1S/C11H9NO3.H3N/c1-15-7-2-3-10-9(6-7)8(11(13)14)4-5-12-10;/h2-6H,1H3,(H,13,14);1H3
InChIKeyKGASKXZCRXQFLS-UHFFFAOYSA-N
XLogP2.10
TPSA94.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

sodium;hydride;6-methoxyquinoline-4-carboxylic acid
CID 173088597
methyl 3-(6-methoxyquinolin-4-yl)-3-oxopropanoate
CID 82665606
2-(6-methoxyquinolin-4-yl)prop-2-enal
CID 135363147
8-hydroxy-6-methoxyquinoline-4-carboxylic acid
CID 174995334
6-methoxy-8-methylquinoline-4-carboxylic acid
CID 83640648
(E)-but-2-enedioic acid;6-methoxyquinolin-4-amine
CID 87801911
6-(2-chlorophenoxy)quinoline-4-carboxylic acid
CID 102941682
6-ethylquinoline-4-carboxylic acid
CID 83527113
6-aminoquinoline-4-carboxylic acid;dihydrochloride
CID 171397441
6-methoxyquinoline-4-sulfonic acid
CID 119093175
6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]quinoline-4-carboxylic acid
CID 165399886
N-[(2-fluorophenyl)methyl]-6-methoxyquinoline-4-carboxamide
CID 146075276

Frequently Asked Questions

What is the IUPAC name of azane;6-methoxyquinoline-4-carboxylic acid?
The IUPAC name of azane;6-methoxyquinoline-4-carboxylic acid (CID 67151937) is azane;6-methoxyquinoline-4-carboxylic acid.
What is the SMILES notation for azane;6-methoxyquinoline-4-carboxylic acid?
The canonical SMILES for azane;6-methoxyquinoline-4-carboxylic acid is COc1ccc2nccc(C(=O)O)c2c1.N.
What is the InChIKey of azane;6-methoxyquinoline-4-carboxylic acid?
The InChIKey is KGASKXZCRXQFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3.H3N/c1-15-7-2-3-10-9(6-7)8(11(13)14)4-5-12-10;/h2-6H,1H3,(H,13,14);1H3.
What are the key properties of azane;6-methoxyquinoline-4-carboxylic acid?
azane;6-methoxyquinoline-4-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;6-methoxyquinoline-4-carboxylic acid is sourced from PubChem (CID 67151937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).