5-[(E)-2-[8-hydroxy-7-(morpholin-4-ylmethyl)quinolin-5-yl]ethenyl]-7-(morpholin-4-ylmethyl)quinolin-8-ol

C30H32N4O4 — CID 155811645

IUPAC5-[(E)-2-[8-hydroxy-7-(morpholin-4-ylmethyl)quinolin-5-yl]ethenyl]-7-(morpholin-4-ylmethyl)quinolin-8-ol
SMILESOc1c(CN2CCOCC2)cc(/C=C/c2cc(CN3CCOCC3)c(O)c3ncccc23)c2cccnc12
InChIInChI=1S/C30H32N4O4/c35-29-23(19-33-9-13-37-14-10-33)17-21(25-3-1-7-31-27(25)29)5-6-22-18-24(20-34-11-15-38-16-12-34)30(36)28-26(22)4-2-8-32-28/h1-8,17-18,35-36H,9-16,19-20H2/b6-5+
InChIKeyWFLBPMYTSHEEJO-AATRIKPKSA-N
MW512.61 g/mol
LogP4.03
Rot. Bonds6

About 5-[(E)-2-[8-hydroxy-7-(morpholin-4-ylmethyl)quinolin-5-yl]ethenyl]-7-(morpholin-4-ylmethyl)quinolin-8-ol

5-[(E)-2-[8-hydroxy-7-(morpholin-4-ylmethyl)quinolin-5-yl]ethenyl]-7-(morpholin-4-ylmethyl)quinolin-8-ol (PubChem CID 155811645) has the molecular formula C30H32N4O4 and a molecular weight of 512.61 g/mol. Its IUPAC name is 5-[(E)-2-[8-hydroxy-7-(morpholin-4-ylmethyl)quinolin-5-yl]ethenyl]-7-(morpholin-4-ylmethyl)quinolin-8-ol.

Molecular Properties

Compound Name5-[(E)-2-[8-hydroxy-7-(morpholin-4-ylmethyl)quinolin-5-yl]ethenyl]-7-(morpholin-4-ylmethyl)quinolin-8-ol
PubChem CID155811645
Molecular FormulaC30H32N4O4
Molecular Weight512.61 g/mol
Exact Mass512.24
IUPAC Name5-[(E)-2-[8-hydroxy-7-(morpholin-4-ylmethyl)quinolin-5-yl]ethenyl]-7-(morpholin-4-ylmethyl)quinolin-8-ol
SMILESOc1c(CN2CCOCC2)cc(/C=C/c2cc(CN3CCOCC3)c(O)c3ncccc23)c2cccnc12
InChIInChI=1S/C30H32N4O4/c35-29-23(19-33-9-13-37-14-10-33)17-21(25-3-1-7-31-27(25)29)5-6-22-18-24(20-34-11-15-38-16-12-34)30(36)28-26(22)4-2-8-32-28/h1-8,17-18,35-36H,9-16,19-20H2/b6-5+
InChIKeyWFLBPMYTSHEEJO-AATRIKPKSA-N
XLogP4.03
TPSA91.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 5-[(E)-2-[8-hydroxy-7-(morpholin-4-ylmethyl)quinolin-5-yl]ethenyl]-7-(morpholin-4-ylmethyl)quinolin-8-ol 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 5-[(E)-2-[8-hydroxy-7-(morpholin-4-ylmethyl)quinolin-5-yl]ethenyl]-7-(morpholin-4-ylmethyl)quinolin-8-ol?
The IUPAC name of 5-[(E)-2-[8-hydroxy-7-(morpholin-4-ylmethyl)quinolin-5-yl]ethenyl]-7-(morpholin-4-ylmethyl)quinolin-8-ol (CID 155811645) is 5-[(E)-2-[8-hydroxy-7-(morpholin-4-ylmethyl)quinolin-5-yl]ethenyl]-7-(morpholin-4-ylmethyl)quinolin-8-ol.
What is the SMILES notation for 5-[(E)-2-[8-hydroxy-7-(morpholin-4-ylmethyl)quinolin-5-yl]ethenyl]-7-(morpholin-4-ylmethyl)quinolin-8-ol?
The canonical SMILES for 5-[(E)-2-[8-hydroxy-7-(morpholin-4-ylmethyl)quinolin-5-yl]ethenyl]-7-(morpholin-4-ylmethyl)quinolin-8-ol is Oc1c(CN2CCOCC2)cc(/C=C/c2cc(CN3CCOCC3)c(O)c3ncccc23)c2cccnc12.
What is the InChIKey of 5-[(E)-2-[8-hydroxy-7-(morpholin-4-ylmethyl)quinolin-5-yl]ethenyl]-7-(morpholin-4-ylmethyl)quinolin-8-ol?
The InChIKey is WFLBPMYTSHEEJO-AATRIKPKSA-N. The full InChI is InChI=1S/C30H32N4O4/c35-29-23(19-33-9-13-37-14-10-33)17-21(25-3-1-7-31-27(25)29)5-6-22-18-24(20-34-11-15-38-16-12-34)30(36)28-26(22)4-2-8-32-28/h1-8,17-18,35-36H,9-16,19-20H2/b6-5+.
What are the key properties of 5-[(E)-2-[8-hydroxy-7-(morpholin-4-ylmethyl)quinolin-5-yl]ethenyl]-7-(morpholin-4-ylmethyl)quinolin-8-ol?
5-[(E)-2-[8-hydroxy-7-(morpholin-4-ylmethyl)quinolin-5-yl]ethenyl]-7-(morpholin-4-ylmethyl)quinolin-8-ol has a molecular weight of 512.61 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[8-hydroxy-7-(morpholin-4-ylmethyl)quinolin-5-yl]ethenyl]-7-(morpholin-4-ylmethyl)quinolin-8-ol is sourced from PubChem (CID 155811645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).