7-(3-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol

C27H17N3O — CID 89211598

IUPAC7-(3-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol
SMILESOc1c(-c2c3ccccc3cc3cc(-c4cncnc4)ccc23)ccc2cccnc12
InChIInChI=1S/C27H17N3O/c31-27-24(10-7-17-5-3-11-30-26(17)27)25-22-6-2-1-4-19(22)13-20-12-18(8-9-23(20)25)21-14-28-16-29-15-21/h1-16,31H
InChIKeyIHRFWNKVHNHXOL-UHFFFAOYSA-N
MW399.45 g/mol
LogP6.37
Rot. Bonds2

About 7-(3-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol

7-(3-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol (PubChem CID 89211598) has the molecular formula C27H17N3O and a molecular weight of 399.45 g/mol. Its IUPAC name is 7-(3-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol.

Molecular Properties

Compound Name7-(3-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol
PubChem CID89211598
Molecular FormulaC27H17N3O
Molecular Weight399.45 g/mol
Exact Mass399.14
IUPAC Name7-(3-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol
SMILESOc1c(-c2c3ccccc3cc3cc(-c4cncnc4)ccc23)ccc2cccnc12
InChIInChI=1S/C27H17N3O/c31-27-24(10-7-17-5-3-11-30-26(17)27)25-22-6-2-1-4-19(22)13-20-12-18(8-9-23(20)25)21-14-28-16-29-15-21/h1-16,31H
InChIKeyIHRFWNKVHNHXOL-UHFFFAOYSA-N
XLogP6.37
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 7-(3-pyrimidin-5-ylanthracen-9-yl)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 7-(3-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol?
The IUPAC name of 7-(3-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol (CID 89211598) is 7-(3-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol.
What is the SMILES notation for 7-(3-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol?
The canonical SMILES for 7-(3-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol is Oc1c(-c2c3ccccc3cc3cc(-c4cncnc4)ccc23)ccc2cccnc12.
What is the InChIKey of 7-(3-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol?
The InChIKey is IHRFWNKVHNHXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3O/c31-27-24(10-7-17-5-3-11-30-26(17)27)25-22-6-2-1-4-19(22)13-20-12-18(8-9-23(20)25)21-14-28-16-29-15-21/h1-16,31H.
What are the key properties of 7-(3-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol?
7-(3-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol has a molecular weight of 399.45 g/mol, XLogP of 6.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-pyrimidin-5-ylanthracen-9-yl)quinolin-8-ol is sourced from PubChem (CID 89211598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).