2-(6-nitroquinolin-2-yl)pentanoic acid

C14H14N2O4 — CID 104571904

IUPAC2-(6-nitroquinolin-2-yl)pentanoic acid
SMILESCCCC(C(=O)O)c1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C14H14N2O4/c1-2-3-11(14(17)18)13-6-4-9-8-10(16(19)20)5-7-12(9)15-13/h4-8,11H,2-3H2,1H3,(H,17,18)
InChIKeyWHAGMECPLNCBPY-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.11
Rot. Bonds5

About 2-(6-nitroquinolin-2-yl)pentanoic acid

2-(6-nitroquinolin-2-yl)pentanoic acid (PubChem CID 104571904) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-(6-nitroquinolin-2-yl)pentanoic acid.

Molecular Properties

Compound Name2-(6-nitroquinolin-2-yl)pentanoic acid
PubChem CID104571904
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-(6-nitroquinolin-2-yl)pentanoic acid
SMILESCCCC(C(=O)O)c1ccc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C14H14N2O4/c1-2-3-11(14(17)18)13-6-4-9-8-10(16(19)20)5-7-12(9)15-13/h4-8,11H,2-3H2,1H3,(H,17,18)
InChIKeyWHAGMECPLNCBPY-UHFFFAOYSA-N
XLogP3.11
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(2-iodo-4-nitrophenyl)pentanoic acid
CID 104572013
4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-ol
CID 63200961
6-nitro-N-pentan-2-ylquinolin-2-amine
CID 43450883
1-(6-nitroquinolin-2-yl)butan-2-ol
CID 63201553
N-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine
CID 63200183
4-methyl-3-(6-nitroquinolin-2-yl)pentan-2-amine
CID 63197337
2-(6-nitroquinolin-2-yl)sulfanylpropanoic acid
CID 43450803
6-nitro-N-propylquinolin-2-amine
CID 43450859
2-[(6-nitroquinolin-2-yl)-propylamino]ethanol
CID 61425481
1-(6-nitroquinolin-2-yl)butan-2-amine
CID 63197200
2-(2-fluoro-4-nitroanilino)pentanoic acid
CID 43631350
N-(3-methylbutyl)-6-nitroquinolin-2-amine
CID 43450897

Frequently Asked Questions

What is the IUPAC name of 2-(6-nitroquinolin-2-yl)pentanoic acid?
The IUPAC name of 2-(6-nitroquinolin-2-yl)pentanoic acid (CID 104571904) is 2-(6-nitroquinolin-2-yl)pentanoic acid.
What is the SMILES notation for 2-(6-nitroquinolin-2-yl)pentanoic acid?
The canonical SMILES for 2-(6-nitroquinolin-2-yl)pentanoic acid is CCCC(C(=O)O)c1ccc2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of 2-(6-nitroquinolin-2-yl)pentanoic acid?
The InChIKey is WHAGMECPLNCBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-2-3-11(14(17)18)13-6-4-9-8-10(16(19)20)5-7-12(9)15-13/h4-8,11H,2-3H2,1H3,(H,17,18).
What are the key properties of 2-(6-nitroquinolin-2-yl)pentanoic acid?
2-(6-nitroquinolin-2-yl)pentanoic acid has a molecular weight of 274.28 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-nitroquinolin-2-yl)pentanoic acid is sourced from PubChem (CID 104571904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).