2-[(2-methylcyclopropyl)methylamino]quinoline-4-carboxylic acid

C15H16N2O2 — CID 113463887

IUPAC2-[(2-methylcyclopropyl)methylamino]quinoline-4-carboxylic acid
SMILESCC1CC1CNc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C15H16N2O2/c1-9-6-10(9)8-16-14-7-12(15(18)19)11-4-2-3-5-13(11)17-14/h2-5,7,9-10H,6,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyFWLWFOCLXQYFLN-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.00
Rot. Bonds4

About 2-[(2-methylcyclopropyl)methylamino]quinoline-4-carboxylic acid

2-[(2-methylcyclopropyl)methylamino]quinoline-4-carboxylic acid (PubChem CID 113463887) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[(2-methylcyclopropyl)methylamino]quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylcyclopropyl)methylamino]quinoline-4-carboxylic acid
PubChem CID113463887
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-[(2-methylcyclopropyl)methylamino]quinoline-4-carboxylic acid
SMILESCC1CC1CNc1cc(C(=O)O)c2ccccc2n1
InChIInChI=1S/C15H16N2O2/c1-9-6-10(9)8-16-14-7-12(15(18)19)11-4-2-3-5-13(11)17-14/h2-5,7,9-10H,6,8H2,1H3,(H,16,17)(H,18,19)
InChIKeyFWLWFOCLXQYFLN-UHFFFAOYSA-N
XLogP3.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclopropyl)methylamino]quinoline-4-carboxylic acid?
The IUPAC name of 2-[(2-methylcyclopropyl)methylamino]quinoline-4-carboxylic acid (CID 113463887) is 2-[(2-methylcyclopropyl)methylamino]quinoline-4-carboxylic acid.
What is the SMILES notation for 2-[(2-methylcyclopropyl)methylamino]quinoline-4-carboxylic acid?
The canonical SMILES for 2-[(2-methylcyclopropyl)methylamino]quinoline-4-carboxylic acid is CC1CC1CNc1cc(C(=O)O)c2ccccc2n1.
What is the InChIKey of 2-[(2-methylcyclopropyl)methylamino]quinoline-4-carboxylic acid?
The InChIKey is FWLWFOCLXQYFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-6-10(9)8-16-14-7-12(15(18)19)11-4-2-3-5-13(11)17-14/h2-5,7,9-10H,6,8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[(2-methylcyclopropyl)methylamino]quinoline-4-carboxylic acid?
2-[(2-methylcyclopropyl)methylamino]quinoline-4-carboxylic acid has a molecular weight of 256.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclopropyl)methylamino]quinoline-4-carboxylic acid is sourced from PubChem (CID 113463887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).