4-(4-methoxyphenyl)-2-phenylquinazoline

C21H16N2O — CID 3346563

IUPAC4-(4-methoxyphenyl)-2-phenylquinazoline
SMILESCOc1ccc(-c2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C21H16N2O/c1-24-17-13-11-15(12-14-17)20-18-9-5-6-10-19(18)22-21(23-20)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeySHDXRDDBMFZTKP-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.97
Rot. Bonds3

About 4-(4-methoxyphenyl)-2-phenylquinazoline

4-(4-methoxyphenyl)-2-phenylquinazoline (PubChem CID 3346563) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-phenylquinazoline.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-phenylquinazoline
PubChem CID3346563
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name4-(4-methoxyphenyl)-2-phenylquinazoline
SMILESCOc1ccc(-c2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C21H16N2O/c1-24-17-13-11-15(12-14-17)20-18-9-5-6-10-19(18)22-21(23-20)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeySHDXRDDBMFZTKP-UHFFFAOYSA-N
XLogP4.97
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-phenylquinazoline?
The IUPAC name of 4-(4-methoxyphenyl)-2-phenylquinazoline (CID 3346563) is 4-(4-methoxyphenyl)-2-phenylquinazoline.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-phenylquinazoline?
The canonical SMILES for 4-(4-methoxyphenyl)-2-phenylquinazoline is COc1ccc(-c2nc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-phenylquinazoline?
The InChIKey is SHDXRDDBMFZTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c1-24-17-13-11-15(12-14-17)20-18-9-5-6-10-19(18)22-21(23-20)16-7-3-2-4-8-16/h2-14H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-2-phenylquinazoline?
4-(4-methoxyphenyl)-2-phenylquinazoline has a molecular weight of 312.37 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-phenylquinazoline is sourced from PubChem (CID 3346563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).