3-[(3-cyanoquinolin-4-yl)amino]butanoic acid

C14H13N3O2 — CID 43668869

IUPAC3-[(3-cyanoquinolin-4-yl)amino]butanoic acid
SMILESCC(CC(=O)O)Nc1c(C#N)cnc2ccccc12
InChIInChI=1S/C14H13N3O2/c1-9(6-13(18)19)17-14-10(7-15)8-16-12-5-3-2-4-11(12)14/h2-5,8-9H,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyGILUOXJKDCFLNJ-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.38
Rot. Bonds4

About 3-[(3-cyanoquinolin-4-yl)amino]butanoic acid

3-[(3-cyanoquinolin-4-yl)amino]butanoic acid (PubChem CID 43668869) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-[(3-cyanoquinolin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(3-cyanoquinolin-4-yl)amino]butanoic acid
PubChem CID43668869
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name3-[(3-cyanoquinolin-4-yl)amino]butanoic acid
SMILESCC(CC(=O)O)Nc1c(C#N)cnc2ccccc12
InChIInChI=1S/C14H13N3O2/c1-9(6-13(18)19)17-14-10(7-15)8-16-12-5-3-2-4-11(12)14/h2-5,8-9H,6H2,1H3,(H,16,17)(H,18,19)
InChIKeyGILUOXJKDCFLNJ-UHFFFAOYSA-N
XLogP2.38
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyanoquinolin-4-yl)amino]butanoic acid?
The IUPAC name of 3-[(3-cyanoquinolin-4-yl)amino]butanoic acid (CID 43668869) is 3-[(3-cyanoquinolin-4-yl)amino]butanoic acid.
What is the SMILES notation for 3-[(3-cyanoquinolin-4-yl)amino]butanoic acid?
The canonical SMILES for 3-[(3-cyanoquinolin-4-yl)amino]butanoic acid is CC(CC(=O)O)Nc1c(C#N)cnc2ccccc12.
What is the InChIKey of 3-[(3-cyanoquinolin-4-yl)amino]butanoic acid?
The InChIKey is GILUOXJKDCFLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-9(6-13(18)19)17-14-10(7-15)8-16-12-5-3-2-4-11(12)14/h2-5,8-9H,6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(3-cyanoquinolin-4-yl)amino]butanoic acid?
3-[(3-cyanoquinolin-4-yl)amino]butanoic acid has a molecular weight of 255.28 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyanoquinolin-4-yl)amino]butanoic acid is sourced from PubChem (CID 43668869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).