6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline

C14H9BrClN3O — CID 89315504

IUPAC6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline
SMILESCOc1cc(Br)cc2c(Cl)nc(-c3cccnc3)nc12
InChIInChI=1S/C14H9BrClN3O/c1-20-11-6-9(15)5-10-12(11)18-14(19-13(10)16)8-3-2-4-17-7-8/h2-7H,1H3
InChIKeyGMSWASNEWDRCFY-UHFFFAOYSA-N
MW350.60 g/mol
LogP4.12
Rot. Bonds2

About 6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline

6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline (PubChem CID 89315504) has the molecular formula C14H9BrClN3O and a molecular weight of 350.60 g/mol. Its IUPAC name is 6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline.

Molecular Properties

Compound Name6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline
PubChem CID89315504
Molecular FormulaC14H9BrClN3O
Molecular Weight350.60 g/mol
Exact Mass348.96
IUPAC Name6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline
SMILESCOc1cc(Br)cc2c(Cl)nc(-c3cccnc3)nc12
InChIInChI=1S/C14H9BrClN3O/c1-20-11-6-9(15)5-10-12(11)18-14(19-13(10)16)8-3-2-4-17-7-8/h2-7H,1H3
InChIKeyGMSWASNEWDRCFY-UHFFFAOYSA-N
XLogP4.12
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.60
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline?
The IUPAC name of 6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline (CID 89315504) is 6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline.
What is the SMILES notation for 6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline?
The canonical SMILES for 6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline is COc1cc(Br)cc2c(Cl)nc(-c3cccnc3)nc12.
What is the InChIKey of 6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline?
The InChIKey is GMSWASNEWDRCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3O/c1-20-11-6-9(15)5-10-12(11)18-14(19-13(10)16)8-3-2-4-17-7-8/h2-7H,1H3.
What are the key properties of 6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline?
6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline has a molecular weight of 350.60 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-8-methoxy-2-pyridin-3-ylquinazoline is sourced from PubChem (CID 89315504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).