2-(methylamino)quinoline-4-carboxylic acid

C11H10N2O2 — CID 22158359

IUPAC2-(methylamino)quinoline-4-carboxylic acid
SMILESCNc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C11H10N2O2/c1-12-10-6-8(11(14)15)7-4-2-3-5-9(7)13-10/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyKNZSTODBZIFZMA-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.97
Rot. Bonds2

About 2-(methylamino)quinoline-4-carboxylic acid

2-(methylamino)quinoline-4-carboxylic acid (PubChem CID 22158359) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(methylamino)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(methylamino)quinoline-4-carboxylic acid
PubChem CID22158359
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-(methylamino)quinoline-4-carboxylic acid
SMILESCNc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C11H10N2O2/c1-12-10-6-8(11(14)15)7-4-2-3-5-9(7)13-10/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyKNZSTODBZIFZMA-UHFFFAOYSA-N
XLogP1.97
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)quinoline-4-carboxylic acid?
The IUPAC name of 2-(methylamino)quinoline-4-carboxylic acid (CID 22158359) is 2-(methylamino)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(methylamino)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(methylamino)quinoline-4-carboxylic acid is CNc1cc(C(=O)O)c2ccccc2n1.
What is the InChIKey of 2-(methylamino)quinoline-4-carboxylic acid?
The InChIKey is KNZSTODBZIFZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-12-10-6-8(11(14)15)7-4-2-3-5-9(7)13-10/h2-6H,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(methylamino)quinoline-4-carboxylic acid?
2-(methylamino)quinoline-4-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)quinoline-4-carboxylic acid is sourced from PubChem (CID 22158359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).