6-(3,4-dimethoxyphenyl)-4-phenylquinazoline

C22H18N2O2 — CID 25054917

IUPAC6-(3,4-dimethoxyphenyl)-4-phenylquinazoline
SMILESCOc1ccc(-c2ccc3ncnc(-c4ccccc4)c3c2)cc1OC
InChIInChI=1S/C22H18N2O2/c1-25-20-11-9-17(13-21(20)26-2)16-8-10-19-18(12-16)22(24-14-23-19)15-6-4-3-5-7-15/h3-14H,1-2H3
InChIKeyFJOGFJFEDZOPJE-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.98
Rot. Bonds4

About 6-(3,4-dimethoxyphenyl)-4-phenylquinazoline

6-(3,4-dimethoxyphenyl)-4-phenylquinazoline (PubChem CID 25054917) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-4-phenylquinazoline.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-4-phenylquinazoline
PubChem CID25054917
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name6-(3,4-dimethoxyphenyl)-4-phenylquinazoline
SMILESCOc1ccc(-c2ccc3ncnc(-c4ccccc4)c3c2)cc1OC
InChIInChI=1S/C22H18N2O2/c1-25-20-11-9-17(13-21(20)26-2)16-8-10-19-18(12-16)22(24-14-23-19)15-6-4-3-5-7-15/h3-14H,1-2H3
InChIKeyFJOGFJFEDZOPJE-UHFFFAOYSA-N
XLogP4.98
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-4-phenylquinazoline?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-4-phenylquinazoline (CID 25054917) is 6-(3,4-dimethoxyphenyl)-4-phenylquinazoline.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-4-phenylquinazoline?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-4-phenylquinazoline is COc1ccc(-c2ccc3ncnc(-c4ccccc4)c3c2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-4-phenylquinazoline?
The InChIKey is FJOGFJFEDZOPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-25-20-11-9-17(13-21(20)26-2)16-8-10-19-18(12-16)22(24-14-23-19)15-6-4-3-5-7-15/h3-14H,1-2H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-4-phenylquinazoline?
6-(3,4-dimethoxyphenyl)-4-phenylquinazoline has a molecular weight of 342.40 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-4-phenylquinazoline is sourced from PubChem (CID 25054917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).