2,4-dichloro-6,7-dimethoxy-5-phenylquinazoline

C16H12Cl2N2O2 — CID 22707020

IUPAC2,4-dichloro-6,7-dimethoxy-5-phenylquinazoline
SMILESCOc1cc2nc(Cl)nc(Cl)c2c(-c2ccccc2)c1OC
InChIInChI=1S/C16H12Cl2N2O2/c1-21-11-8-10-13(15(17)20-16(18)19-10)12(14(11)22-2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyFIOPVMBVEGLJEK-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.62
Rot. Bonds3

About 2,4-dichloro-6,7-dimethoxy-5-phenylquinazoline

2,4-dichloro-6,7-dimethoxy-5-phenylquinazoline (PubChem CID 22707020) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 2,4-dichloro-6,7-dimethoxy-5-phenylquinazoline.

Molecular Properties

Compound Name2,4-dichloro-6,7-dimethoxy-5-phenylquinazoline
PubChem CID22707020
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name2,4-dichloro-6,7-dimethoxy-5-phenylquinazoline
SMILESCOc1cc2nc(Cl)nc(Cl)c2c(-c2ccccc2)c1OC
InChIInChI=1S/C16H12Cl2N2O2/c1-21-11-8-10-13(15(17)20-16(18)19-10)12(14(11)22-2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyFIOPVMBVEGLJEK-UHFFFAOYSA-N
XLogP4.62
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6,7-dimethoxy-5-phenylquinazoline?
The IUPAC name of 2,4-dichloro-6,7-dimethoxy-5-phenylquinazoline (CID 22707020) is 2,4-dichloro-6,7-dimethoxy-5-phenylquinazoline.
What is the SMILES notation for 2,4-dichloro-6,7-dimethoxy-5-phenylquinazoline?
The canonical SMILES for 2,4-dichloro-6,7-dimethoxy-5-phenylquinazoline is COc1cc2nc(Cl)nc(Cl)c2c(-c2ccccc2)c1OC.
What is the InChIKey of 2,4-dichloro-6,7-dimethoxy-5-phenylquinazoline?
The InChIKey is FIOPVMBVEGLJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c1-21-11-8-10-13(15(17)20-16(18)19-10)12(14(11)22-2)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 2,4-dichloro-6,7-dimethoxy-5-phenylquinazoline?
2,4-dichloro-6,7-dimethoxy-5-phenylquinazoline has a molecular weight of 335.19 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6,7-dimethoxy-5-phenylquinazoline is sourced from PubChem (CID 22707020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).