(2E)-2-[1-[4-(quinolin-2-ylmethoxy)phenyl]pentoxyimino]acetic acid

C23H24N2O4 — CID 10739259

IUPAC(2E)-2-[1-[4-(quinolin-2-ylmethoxy)phenyl]pentoxyimino]acetic acid
SMILESCCCCC(O/N=C/C(=O)O)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C23H24N2O4/c1-2-3-8-22(29-24-15-23(26)27)18-10-13-20(14-11-18)28-16-19-12-9-17-6-4-5-7-21(17)25-19/h4-7,9-15,22H,2-3,8,16H2,1H3,(H,26,27)/b24-15+
InChIKeyKAIKQSXHFVUZAS-BUVRLJJBSA-N
MW392.46 g/mol
LogP5.13
Rot. Bonds10

About (2E)-2-[1-[4-(quinolin-2-ylmethoxy)phenyl]pentoxyimino]acetic acid

(2E)-2-[1-[4-(quinolin-2-ylmethoxy)phenyl]pentoxyimino]acetic acid (PubChem CID 10739259) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2E)-2-[1-[4-(quinolin-2-ylmethoxy)phenyl]pentoxyimino]acetic acid.

Molecular Properties

Compound Name(2E)-2-[1-[4-(quinolin-2-ylmethoxy)phenyl]pentoxyimino]acetic acid
PubChem CID10739259
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name(2E)-2-[1-[4-(quinolin-2-ylmethoxy)phenyl]pentoxyimino]acetic acid
SMILESCCCCC(O/N=C/C(=O)O)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C23H24N2O4/c1-2-3-8-22(29-24-15-23(26)27)18-10-13-20(14-11-18)28-16-19-12-9-17-6-4-5-7-21(17)25-19/h4-7,9-15,22H,2-3,8,16H2,1H3,(H,26,27)/b24-15+
InChIKeyKAIKQSXHFVUZAS-BUVRLJJBSA-N
XLogP5.13
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-2-[1-[4-(quinolin-2-ylmethoxy)phenyl]pentoxyimino]acetic 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 (2E)-2-[1-[4-(quinolin-2-ylmethoxy)phenyl]pentoxyimino]acetic acid?
The IUPAC name of (2E)-2-[1-[4-(quinolin-2-ylmethoxy)phenyl]pentoxyimino]acetic acid (CID 10739259) is (2E)-2-[1-[4-(quinolin-2-ylmethoxy)phenyl]pentoxyimino]acetic acid.
What is the SMILES notation for (2E)-2-[1-[4-(quinolin-2-ylmethoxy)phenyl]pentoxyimino]acetic acid?
The canonical SMILES for (2E)-2-[1-[4-(quinolin-2-ylmethoxy)phenyl]pentoxyimino]acetic acid is CCCCC(O/N=C/C(=O)O)c1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of (2E)-2-[1-[4-(quinolin-2-ylmethoxy)phenyl]pentoxyimino]acetic acid?
The InChIKey is KAIKQSXHFVUZAS-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-2-3-8-22(29-24-15-23(26)27)18-10-13-20(14-11-18)28-16-19-12-9-17-6-4-5-7-21(17)25-19/h4-7,9-15,22H,2-3,8,16H2,1H3,(H,26,27)/b24-15+.
What are the key properties of (2E)-2-[1-[4-(quinolin-2-ylmethoxy)phenyl]pentoxyimino]acetic acid?
(2E)-2-[1-[4-(quinolin-2-ylmethoxy)phenyl]pentoxyimino]acetic acid has a molecular weight of 392.46 g/mol, XLogP of 5.13, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[1-[4-(quinolin-2-ylmethoxy)phenyl]pentoxyimino]acetic acid is sourced from PubChem (CID 10739259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).