(4E)-4-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopentanoic acid

C28H32N2O4 — CID 10504173

IUPAC(4E)-4-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopentanoic acid
SMILESC/C(CCC(=O)O)=N\OC(c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCC1
InChIInChI=1S/C28H32N2O4/c1-20(11-18-27(31)32)30-34-28(22-8-3-2-4-9-22)23-13-16-25(17-14-23)33-19-24-15-12-21-7-5-6-10-26(21)29-24/h5-7,10,12-17,22,28H,2-4,8-9,11,18-19H2,1H3,(H,31,32)/b30-20+
InChIKeyUUODXXOKNMRECJ-TWKHWXDSSA-N
MW460.57 g/mol
LogP6.69
Rot. Bonds10

About (4E)-4-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopentanoic acid

(4E)-4-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopentanoic acid (PubChem CID 10504173) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is (4E)-4-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopentanoic acid.

Molecular Properties

Compound Name(4E)-4-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopentanoic acid
PubChem CID10504173
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC Name(4E)-4-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopentanoic acid
SMILESC/C(CCC(=O)O)=N\OC(c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCC1
InChIInChI=1S/C28H32N2O4/c1-20(11-18-27(31)32)30-34-28(22-8-3-2-4-9-22)23-13-16-25(17-14-23)33-19-24-15-12-21-7-5-6-10-26(21)29-24/h5-7,10,12-17,22,28H,2-4,8-9,11,18-19H2,1H3,(H,31,32)/b30-20+
InChIKeyUUODXXOKNMRECJ-TWKHWXDSSA-N
XLogP6.69
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 56.69
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 (4E)-4-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopentanoic 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 (4E)-4-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopentanoic acid?
The IUPAC name of (4E)-4-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopentanoic acid (CID 10504173) is (4E)-4-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopentanoic acid.
What is the SMILES notation for (4E)-4-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopentanoic acid?
The canonical SMILES for (4E)-4-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopentanoic acid is C/C(CCC(=O)O)=N\OC(c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCCC1.
What is the InChIKey of (4E)-4-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopentanoic acid?
The InChIKey is UUODXXOKNMRECJ-TWKHWXDSSA-N. The full InChI is InChI=1S/C28H32N2O4/c1-20(11-18-27(31)32)30-34-28(22-8-3-2-4-9-22)23-13-16-25(17-14-23)33-19-24-15-12-21-7-5-6-10-26(21)29-24/h5-7,10,12-17,22,28H,2-4,8-9,11,18-19H2,1H3,(H,31,32)/b30-20+.
What are the key properties of (4E)-4-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopentanoic acid?
(4E)-4-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopentanoic acid has a molecular weight of 460.57 g/mol, XLogP of 6.69, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminopentanoic acid is sourced from PubChem (CID 10504173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).