3-benzyl-7-methoxy-2,4-diphenyl-4H-quinazoline

C28H24N2O — CID 162659321

IUPAC3-benzyl-7-methoxy-2,4-diphenyl-4H-quinazoline
SMILESCOc1ccc2c(c1)N=C(c1ccccc1)N(Cc1ccccc1)C2c1ccccc1
InChIInChI=1S/C28H24N2O/c1-31-24-17-18-25-26(19-24)29-28(23-15-9-4-10-16-23)30(20-21-11-5-2-6-12-21)27(25)22-13-7-3-8-14-22/h2-19,27H,20H2,1H3
InChIKeyYWALILOUNRPVBZ-UHFFFAOYSA-N
MW404.51 g/mol
LogP6.38
Rot. Bonds5

About 3-benzyl-7-methoxy-2,4-diphenyl-4H-quinazoline

3-benzyl-7-methoxy-2,4-diphenyl-4H-quinazoline (PubChem CID 162659321) has the molecular formula C28H24N2O and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-benzyl-7-methoxy-2,4-diphenyl-4H-quinazoline.

Molecular Properties

Compound Name3-benzyl-7-methoxy-2,4-diphenyl-4H-quinazoline
PubChem CID162659321
Molecular FormulaC28H24N2O
Molecular Weight404.51 g/mol
Exact Mass404.19
IUPAC Name3-benzyl-7-methoxy-2,4-diphenyl-4H-quinazoline
SMILESCOc1ccc2c(c1)N=C(c1ccccc1)N(Cc1ccccc1)C2c1ccccc1
InChIInChI=1S/C28H24N2O/c1-31-24-17-18-25-26(19-24)29-28(23-15-9-4-10-16-23)30(20-21-11-5-2-6-12-21)27(25)22-13-7-3-8-14-22/h2-19,27H,20H2,1H3
InChIKeyYWALILOUNRPVBZ-UHFFFAOYSA-N
XLogP6.38
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-methoxy-2,4-diphenyl-4H-quinazoline?
The IUPAC name of 3-benzyl-7-methoxy-2,4-diphenyl-4H-quinazoline (CID 162659321) is 3-benzyl-7-methoxy-2,4-diphenyl-4H-quinazoline.
What is the SMILES notation for 3-benzyl-7-methoxy-2,4-diphenyl-4H-quinazoline?
The canonical SMILES for 3-benzyl-7-methoxy-2,4-diphenyl-4H-quinazoline is COc1ccc2c(c1)N=C(c1ccccc1)N(Cc1ccccc1)C2c1ccccc1.
What is the InChIKey of 3-benzyl-7-methoxy-2,4-diphenyl-4H-quinazoline?
The InChIKey is YWALILOUNRPVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O/c1-31-24-17-18-25-26(19-24)29-28(23-15-9-4-10-16-23)30(20-21-11-5-2-6-12-21)27(25)22-13-7-3-8-14-22/h2-19,27H,20H2,1H3.
What are the key properties of 3-benzyl-7-methoxy-2,4-diphenyl-4H-quinazoline?
3-benzyl-7-methoxy-2,4-diphenyl-4H-quinazoline has a molecular weight of 404.51 g/mol, XLogP of 6.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-methoxy-2,4-diphenyl-4H-quinazoline is sourced from PubChem (CID 162659321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).