4-benzyl-8-methoxy-2-(4-methylphenyl)quinazoline

C23H20N2O — CID 2147141

IUPAC4-benzyl-8-methoxy-2-(4-methylphenyl)quinazoline
SMILESCOc1cccc2c(Cc3ccccc3)nc(-c3ccc(C)cc3)nc12
InChIInChI=1S/C23H20N2O/c1-16-11-13-18(14-12-16)23-24-20(15-17-7-4-3-5-8-17)19-9-6-10-21(26-2)22(19)25-23/h3-14H,15H2,1-2H3
InChIKeySJTLXVFAAVQIPN-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.20
Rot. Bonds4

About 4-benzyl-8-methoxy-2-(4-methylphenyl)quinazoline

4-benzyl-8-methoxy-2-(4-methylphenyl)quinazoline (PubChem CID 2147141) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-benzyl-8-methoxy-2-(4-methylphenyl)quinazoline.

Molecular Properties

Compound Name4-benzyl-8-methoxy-2-(4-methylphenyl)quinazoline
PubChem CID2147141
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name4-benzyl-8-methoxy-2-(4-methylphenyl)quinazoline
SMILESCOc1cccc2c(Cc3ccccc3)nc(-c3ccc(C)cc3)nc12
InChIInChI=1S/C23H20N2O/c1-16-11-13-18(14-12-16)23-24-20(15-17-7-4-3-5-8-17)19-9-6-10-21(26-2)22(19)25-23/h3-14H,15H2,1-2H3
InChIKeySJTLXVFAAVQIPN-UHFFFAOYSA-N
XLogP5.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-8-methoxy-2-(4-methylphenyl)quinazoline?
The IUPAC name of 4-benzyl-8-methoxy-2-(4-methylphenyl)quinazoline (CID 2147141) is 4-benzyl-8-methoxy-2-(4-methylphenyl)quinazoline.
What is the SMILES notation for 4-benzyl-8-methoxy-2-(4-methylphenyl)quinazoline?
The canonical SMILES for 4-benzyl-8-methoxy-2-(4-methylphenyl)quinazoline is COc1cccc2c(Cc3ccccc3)nc(-c3ccc(C)cc3)nc12.
What is the InChIKey of 4-benzyl-8-methoxy-2-(4-methylphenyl)quinazoline?
The InChIKey is SJTLXVFAAVQIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-16-11-13-18(14-12-16)23-24-20(15-17-7-4-3-5-8-17)19-9-6-10-21(26-2)22(19)25-23/h3-14H,15H2,1-2H3.
What are the key properties of 4-benzyl-8-methoxy-2-(4-methylphenyl)quinazoline?
4-benzyl-8-methoxy-2-(4-methylphenyl)quinazoline has a molecular weight of 340.43 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-8-methoxy-2-(4-methylphenyl)quinazoline is sourced from PubChem (CID 2147141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).