[2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 4-methylbenzoate

C23H18N2O3 — CID 118737735

IUPAC[2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 4-methylbenzoate
SMILESCc1ccc(C(=O)On2c(-c3cccc(C)c3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H18N2O3/c1-15-10-12-17(13-11-15)23(27)28-25-21(18-7-5-6-16(2)14-18)24-20-9-4-3-8-19(20)22(25)26/h3-14H,1-2H3
InChIKeyWLUUQQSBZYTHKG-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.95
Rot. Bonds3

About [2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 4-methylbenzoate

[2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 4-methylbenzoate (PubChem CID 118737735) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is [2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 4-methylbenzoate.

Molecular Properties

Compound Name[2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 4-methylbenzoate
PubChem CID118737735
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name[2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 4-methylbenzoate
SMILESCc1ccc(C(=O)On2c(-c3cccc(C)c3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H18N2O3/c1-15-10-12-17(13-11-15)23(27)28-25-21(18-7-5-6-16(2)14-18)24-20-9-4-3-8-19(20)22(25)26/h3-14H,1-2H3
InChIKeyWLUUQQSBZYTHKG-UHFFFAOYSA-N
XLogP3.95
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 4-methylbenzoate?
The IUPAC name of [2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 4-methylbenzoate (CID 118737735) is [2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 4-methylbenzoate.
What is the SMILES notation for [2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 4-methylbenzoate?
The canonical SMILES for [2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 4-methylbenzoate is Cc1ccc(C(=O)On2c(-c3cccc(C)c3)nc3ccccc3c2=O)cc1.
What is the InChIKey of [2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 4-methylbenzoate?
The InChIKey is WLUUQQSBZYTHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-15-10-12-17(13-11-15)23(27)28-25-21(18-7-5-6-16(2)14-18)24-20-9-4-3-8-19(20)22(25)26/h3-14H,1-2H3.
What are the key properties of [2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 4-methylbenzoate?
[2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 4-methylbenzoate has a molecular weight of 370.41 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylphenyl)-4-oxoquinazolin-3-yl] 4-methylbenzoate is sourced from PubChem (CID 118737735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).