(2E)-2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid

C24H24N2O4 — CID 10501407

IUPAC(2E)-2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid
SMILESO=C(O)/C=N/OC(c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1
InChIInChI=1S/C24H24N2O4/c27-23(28)15-25-30-24(18-6-1-2-7-18)19-10-13-21(14-11-19)29-16-20-12-9-17-5-3-4-8-22(17)26-20/h3-5,8-15,18,24H,1-2,6-7,16H2,(H,27,28)/b25-15+
InChIKeyZVUYUQANTKZJHA-MFKUBSTISA-N
MW404.47 g/mol
LogP5.13
Rot. Bonds8

About (2E)-2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid

(2E)-2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid (PubChem CID 10501407) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is (2E)-2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid.

Molecular Properties

Compound Name(2E)-2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid
PubChem CID10501407
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name(2E)-2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid
SMILESO=C(O)/C=N/OC(c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1
InChIInChI=1S/C24H24N2O4/c27-23(28)15-25-30-24(18-6-1-2-7-18)19-10-13-21(14-11-19)29-16-20-12-9-17-5-3-4-8-22(17)26-20/h3-5,8-15,18,24H,1-2,6-7,16H2,(H,27,28)/b25-15+
InChIKeyZVUYUQANTKZJHA-MFKUBSTISA-N
XLogP5.13
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
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'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid?
The IUPAC name of (2E)-2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid (CID 10501407) is (2E)-2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid.
What is the SMILES notation for (2E)-2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid?
The canonical SMILES for (2E)-2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid is O=C(O)/C=N/OC(c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1.
What is the InChIKey of (2E)-2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid?
The InChIKey is ZVUYUQANTKZJHA-MFKUBSTISA-N. The full InChI is InChI=1S/C24H24N2O4/c27-23(28)15-25-30-24(18-6-1-2-7-18)19-10-13-21(14-11-19)29-16-20-12-9-17-5-3-4-8-22(17)26-20/h3-5,8-15,18,24H,1-2,6-7,16H2,(H,27,28)/b25-15+.
What are the key properties of (2E)-2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid?
(2E)-2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid has a molecular weight of 404.47 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[cyclopentyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]iminoacetic acid is sourced from PubChem (CID 10501407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).