4-[(6-chloro-3-pyridinyl)oxy]-8-methylquinazoline

C14H10ClN3O — CID 133384134

IUPAC4-[(6-chloro-3-pyridinyl)oxy]-8-methylquinazoline
SMILESCc1cccc2c(Oc3ccc(Cl)nc3)ncnc12
InChIInChI=1S/C14H10ClN3O/c1-9-3-2-4-11-13(9)17-8-18-14(11)19-10-5-6-12(15)16-7-10/h2-8H,1H3
InChIKeyGGVQBEXZSQSPAU-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.78
Rot. Bonds2

About 4-[(6-chloro-3-pyridinyl)oxy]-8-methylquinazoline

4-[(6-chloro-3-pyridinyl)oxy]-8-methylquinazoline (PubChem CID 133384134) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 4-[(6-chloro-3-pyridinyl)oxy]-8-methylquinazoline.

Molecular Properties

Compound Name4-[(6-chloro-3-pyridinyl)oxy]-8-methylquinazoline
PubChem CID133384134
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name4-[(6-chloro-3-pyridinyl)oxy]-8-methylquinazoline
SMILESCc1cccc2c(Oc3ccc(Cl)nc3)ncnc12
InChIInChI=1S/C14H10ClN3O/c1-9-3-2-4-11-13(9)17-8-18-14(11)19-10-5-6-12(15)16-7-10/h2-8H,1H3
InChIKeyGGVQBEXZSQSPAU-UHFFFAOYSA-N
XLogP3.78
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(6-chloro-3-pyridinyl)oxy]-8-methylquinazoline 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 4-[(6-chloro-3-pyridinyl)oxy]-8-methylquinazoline?
The IUPAC name of 4-[(6-chloro-3-pyridinyl)oxy]-8-methylquinazoline (CID 133384134) is 4-[(6-chloro-3-pyridinyl)oxy]-8-methylquinazoline.
What is the SMILES notation for 4-[(6-chloro-3-pyridinyl)oxy]-8-methylquinazoline?
The canonical SMILES for 4-[(6-chloro-3-pyridinyl)oxy]-8-methylquinazoline is Cc1cccc2c(Oc3ccc(Cl)nc3)ncnc12.
What is the InChIKey of 4-[(6-chloro-3-pyridinyl)oxy]-8-methylquinazoline?
The InChIKey is GGVQBEXZSQSPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c1-9-3-2-4-11-13(9)17-8-18-14(11)19-10-5-6-12(15)16-7-10/h2-8H,1H3.
What are the key properties of 4-[(6-chloro-3-pyridinyl)oxy]-8-methylquinazoline?
4-[(6-chloro-3-pyridinyl)oxy]-8-methylquinazoline has a molecular weight of 271.71 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-3-pyridinyl)oxy]-8-methylquinazoline is sourced from PubChem (CID 133384134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).