4-[(2-bromo-3-pyridinyl)oxy]-2-pyridin-4-ylquinazoline

C18H11BrN4O — CID 71887379

IUPAC4-[(2-bromo-3-pyridinyl)oxy]-2-pyridin-4-ylquinazoline
SMILESBrc1ncccc1Oc1nc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C18H11BrN4O/c19-16-15(6-3-9-21-16)24-18-13-4-1-2-5-14(13)22-17(23-18)12-7-10-20-11-8-12/h1-11H
InChIKeyCLEGIOUPAKSTHC-UHFFFAOYSA-N
MW379.22 g/mol
LogP4.64
Rot. Bonds3

About 4-[(2-bromo-3-pyridinyl)oxy]-2-pyridin-4-ylquinazoline

4-[(2-bromo-3-pyridinyl)oxy]-2-pyridin-4-ylquinazoline (PubChem CID 71887379) has the molecular formula C18H11BrN4O and a molecular weight of 379.22 g/mol. Its IUPAC name is 4-[(2-bromo-3-pyridinyl)oxy]-2-pyridin-4-ylquinazoline.

Molecular Properties

Compound Name4-[(2-bromo-3-pyridinyl)oxy]-2-pyridin-4-ylquinazoline
PubChem CID71887379
Molecular FormulaC18H11BrN4O
Molecular Weight379.22 g/mol
Exact Mass378.01
IUPAC Name4-[(2-bromo-3-pyridinyl)oxy]-2-pyridin-4-ylquinazoline
SMILESBrc1ncccc1Oc1nc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C18H11BrN4O/c19-16-15(6-3-9-21-16)24-18-13-4-1-2-5-14(13)22-17(23-18)12-7-10-20-11-8-12/h1-11H
InChIKeyCLEGIOUPAKSTHC-UHFFFAOYSA-N
XLogP4.64
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.22
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-3-pyridinyl)oxy]-2-pyridin-4-ylquinazoline?
The IUPAC name of 4-[(2-bromo-3-pyridinyl)oxy]-2-pyridin-4-ylquinazoline (CID 71887379) is 4-[(2-bromo-3-pyridinyl)oxy]-2-pyridin-4-ylquinazoline.
What is the SMILES notation for 4-[(2-bromo-3-pyridinyl)oxy]-2-pyridin-4-ylquinazoline?
The canonical SMILES for 4-[(2-bromo-3-pyridinyl)oxy]-2-pyridin-4-ylquinazoline is Brc1ncccc1Oc1nc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of 4-[(2-bromo-3-pyridinyl)oxy]-2-pyridin-4-ylquinazoline?
The InChIKey is CLEGIOUPAKSTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN4O/c19-16-15(6-3-9-21-16)24-18-13-4-1-2-5-14(13)22-17(23-18)12-7-10-20-11-8-12/h1-11H.
What are the key properties of 4-[(2-bromo-3-pyridinyl)oxy]-2-pyridin-4-ylquinazoline?
4-[(2-bromo-3-pyridinyl)oxy]-2-pyridin-4-ylquinazoline has a molecular weight of 379.22 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-3-pyridinyl)oxy]-2-pyridin-4-ylquinazoline is sourced from PubChem (CID 71887379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).