5-oxo-5-(quinolin-8-ylamino)pentanoic acid

C14H14N2O3 — CID 695449

IUPAC5-oxo-5-(quinolin-8-ylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C14H14N2O3/c17-12(7-2-8-13(18)19)16-11-6-1-4-10-5-3-9-15-14(10)11/h1,3-6,9H,2,7-8H2,(H,16,17)(H,18,19)
InChIKeyQHAGQKMFCQUTHF-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.43
Rot. Bonds5

About 5-oxo-5-(quinolin-8-ylamino)pentanoic acid

5-oxo-5-(quinolin-8-ylamino)pentanoic acid (PubChem CID 695449) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-oxo-5-(quinolin-8-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(quinolin-8-ylamino)pentanoic acid
PubChem CID695449
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name5-oxo-5-(quinolin-8-ylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1cccc2cccnc12
InChIInChI=1S/C14H14N2O3/c17-12(7-2-8-13(18)19)16-11-6-1-4-10-5-3-9-15-14(10)11/h1,3-6,9H,2,7-8H2,(H,16,17)(H,18,19)
InChIKeyQHAGQKMFCQUTHF-UHFFFAOYSA-N
XLogP2.43
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-oxo-5-(quinolin-8-ylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(quinolin-8-ylamino)pentanoic acid?
The IUPAC name of 5-oxo-5-(quinolin-8-ylamino)pentanoic acid (CID 695449) is 5-oxo-5-(quinolin-8-ylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(quinolin-8-ylamino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(quinolin-8-ylamino)pentanoic acid is O=C(O)CCCC(=O)Nc1cccc2cccnc12.
What is the InChIKey of 5-oxo-5-(quinolin-8-ylamino)pentanoic acid?
The InChIKey is QHAGQKMFCQUTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-12(7-2-8-13(18)19)16-11-6-1-4-10-5-3-9-15-14(10)11/h1,3-6,9H,2,7-8H2,(H,16,17)(H,18,19).
What are the key properties of 5-oxo-5-(quinolin-8-ylamino)pentanoic acid?
5-oxo-5-(quinolin-8-ylamino)pentanoic acid has a molecular weight of 258.28 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(quinolin-8-ylamino)pentanoic acid is sourced from PubChem (CID 695449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).