4-chloro-2-pyridin-4-ylquinazoline

C13H8ClN3 — CID 4736849

IUPAC4-chloro-2-pyridin-4-ylquinazoline
SMILESClc1nc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C13H8ClN3/c14-12-10-3-1-2-4-11(10)16-13(17-12)9-5-7-15-8-6-9/h1-8H
InChIKeyRWUSMOWAZASBJI-UHFFFAOYSA-N
MW241.68 g/mol
LogP3.35
Rot. Bonds1

About 4-chloro-2-pyridin-4-ylquinazoline

4-chloro-2-pyridin-4-ylquinazoline (PubChem CID 4736849) has the molecular formula C13H8ClN3 and a molecular weight of 241.68 g/mol. Its IUPAC name is 4-chloro-2-pyridin-4-ylquinazoline.

Molecular Properties

Compound Name4-chloro-2-pyridin-4-ylquinazoline
PubChem CID4736849
Molecular FormulaC13H8ClN3
Molecular Weight241.68 g/mol
Exact Mass241.04
IUPAC Name4-chloro-2-pyridin-4-ylquinazoline
SMILESClc1nc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C13H8ClN3/c14-12-10-3-1-2-4-11(10)16-13(17-12)9-5-7-15-8-6-9/h1-8H
InChIKeyRWUSMOWAZASBJI-UHFFFAOYSA-N
XLogP3.35
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyridin-4-ylquinazoline?
The IUPAC name of 4-chloro-2-pyridin-4-ylquinazoline (CID 4736849) is 4-chloro-2-pyridin-4-ylquinazoline.
What is the SMILES notation for 4-chloro-2-pyridin-4-ylquinazoline?
The canonical SMILES for 4-chloro-2-pyridin-4-ylquinazoline is Clc1nc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of 4-chloro-2-pyridin-4-ylquinazoline?
The InChIKey is RWUSMOWAZASBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3/c14-12-10-3-1-2-4-11(10)16-13(17-12)9-5-7-15-8-6-9/h1-8H.
What are the key properties of 4-chloro-2-pyridin-4-ylquinazoline?
4-chloro-2-pyridin-4-ylquinazoline has a molecular weight of 241.68 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pyridin-4-ylquinazoline is sourced from PubChem (CID 4736849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).