3-benzyl-2-(4-methoxynaphthalen-1-yl)quinazolin-4-one

C26H20N2O2 — CID 46097795

IUPAC3-benzyl-2-(4-methoxynaphthalen-1-yl)quinazolin-4-one
SMILESCOc1ccc(-c2nc3ccccc3c(=O)n2Cc2ccccc2)c2ccccc12
InChIInChI=1S/C26H20N2O2/c1-30-24-16-15-21(19-11-5-6-12-20(19)24)25-27-23-14-8-7-13-22(23)26(29)28(25)17-18-9-3-2-4-10-18/h2-16H,17H2,1H3
InChIKeySVMKFPGXTOJLBK-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.27
Rot. Bonds4

About 3-benzyl-2-(4-methoxynaphthalen-1-yl)quinazolin-4-one

3-benzyl-2-(4-methoxynaphthalen-1-yl)quinazolin-4-one (PubChem CID 46097795) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-benzyl-2-(4-methoxynaphthalen-1-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-2-(4-methoxynaphthalen-1-yl)quinazolin-4-one
PubChem CID46097795
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC Name3-benzyl-2-(4-methoxynaphthalen-1-yl)quinazolin-4-one
SMILESCOc1ccc(-c2nc3ccccc3c(=O)n2Cc2ccccc2)c2ccccc12
InChIInChI=1S/C26H20N2O2/c1-30-24-16-15-21(19-11-5-6-12-20(19)24)25-27-23-14-8-7-13-22(23)26(29)28(25)17-18-9-3-2-4-10-18/h2-16H,17H2,1H3
InChIKeySVMKFPGXTOJLBK-UHFFFAOYSA-N
XLogP5.27
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(4-methoxynaphthalen-1-yl)quinazolin-4-one?
The IUPAC name of 3-benzyl-2-(4-methoxynaphthalen-1-yl)quinazolin-4-one (CID 46097795) is 3-benzyl-2-(4-methoxynaphthalen-1-yl)quinazolin-4-one.
What is the SMILES notation for 3-benzyl-2-(4-methoxynaphthalen-1-yl)quinazolin-4-one?
The canonical SMILES for 3-benzyl-2-(4-methoxynaphthalen-1-yl)quinazolin-4-one is COc1ccc(-c2nc3ccccc3c(=O)n2Cc2ccccc2)c2ccccc12.
What is the InChIKey of 3-benzyl-2-(4-methoxynaphthalen-1-yl)quinazolin-4-one?
The InChIKey is SVMKFPGXTOJLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c1-30-24-16-15-21(19-11-5-6-12-20(19)24)25-27-23-14-8-7-13-22(23)26(29)28(25)17-18-9-3-2-4-10-18/h2-16H,17H2,1H3.
What are the key properties of 3-benzyl-2-(4-methoxynaphthalen-1-yl)quinazolin-4-one?
3-benzyl-2-(4-methoxynaphthalen-1-yl)quinazolin-4-one has a molecular weight of 392.46 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(4-methoxynaphthalen-1-yl)quinazolin-4-one is sourced from PubChem (CID 46097795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).