3-[(8-nitroquinolin-4-yl)amino]pentanoic acid

C14H15N3O4 — CID 83066525

IUPAC3-[(8-nitroquinolin-4-yl)amino]pentanoic acid
SMILESCCC(CC(=O)O)Nc1ccnc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C14H15N3O4/c1-2-9(8-13(18)19)16-11-6-7-15-14-10(11)4-3-5-12(14)17(20)21/h3-7,9H,2,8H2,1H3,(H,15,16)(H,18,19)
InChIKeyIIBAGXLAFGWLFM-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.81
Rot. Bonds6

About 3-[(8-nitroquinolin-4-yl)amino]pentanoic acid

3-[(8-nitroquinolin-4-yl)amino]pentanoic acid (PubChem CID 83066525) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-[(8-nitroquinolin-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name3-[(8-nitroquinolin-4-yl)amino]pentanoic acid
PubChem CID83066525
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name3-[(8-nitroquinolin-4-yl)amino]pentanoic acid
SMILESCCC(CC(=O)O)Nc1ccnc2c([N+](=O)[O-])cccc12
InChIInChI=1S/C14H15N3O4/c1-2-9(8-13(18)19)16-11-6-7-15-14-10(11)4-3-5-12(14)17(20)21/h3-7,9H,2,8H2,1H3,(H,15,16)(H,18,19)
InChIKeyIIBAGXLAFGWLFM-UHFFFAOYSA-N
XLogP2.81
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-nitro-N-pentan-3-ylquinolin-4-amine
CID 83060706
2-[(8-nitroquinolin-4-yl)amino]butan-1-ol
CID 83061011
3-[(8-nitroquinolin-5-yl)amino]butanoic acid
CID 43449375
N-(2-methylbutyl)-8-nitroquinolin-4-amine
CID 83061235
2-[(8-nitroquinolin-4-yl)amino]-N-propan-2-ylacetamide
CID 83066709
4-[(8-nitroquinolin-4-yl)amino]butanoic acid
CID 83060998
4-[(8-nitroquinolin-4-yl)amino]pentan-1-ol
CID 83060786
N-(1-methylsulfonylpropan-2-yl)-8-nitroquinolin-4-amine
CID 83067027
2-(8-nitroquinolin-4-yl)butanoic acid
CID 113428090
2-methyl-1-[(8-nitroquinolin-4-yl)amino]pentan-2-ol
CID 106290733
4-[(8-nitroquinolin-4-yl)amino]butan-1-ol
CID 106842695
3-methyl-3-[(8-nitroquinolin-5-yl)amino]butanoic acid
CID 64700007

Frequently Asked Questions

What is the IUPAC name of 3-[(8-nitroquinolin-4-yl)amino]pentanoic acid?
The IUPAC name of 3-[(8-nitroquinolin-4-yl)amino]pentanoic acid (CID 83066525) is 3-[(8-nitroquinolin-4-yl)amino]pentanoic acid.
What is the SMILES notation for 3-[(8-nitroquinolin-4-yl)amino]pentanoic acid?
The canonical SMILES for 3-[(8-nitroquinolin-4-yl)amino]pentanoic acid is CCC(CC(=O)O)Nc1ccnc2c([N+](=O)[O-])cccc12.
What is the InChIKey of 3-[(8-nitroquinolin-4-yl)amino]pentanoic acid?
The InChIKey is IIBAGXLAFGWLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-2-9(8-13(18)19)16-11-6-7-15-14-10(11)4-3-5-12(14)17(20)21/h3-7,9H,2,8H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 3-[(8-nitroquinolin-4-yl)amino]pentanoic acid?
3-[(8-nitroquinolin-4-yl)amino]pentanoic acid has a molecular weight of 289.29 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-nitroquinolin-4-yl)amino]pentanoic acid is sourced from PubChem (CID 83066525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).