3-[(4-methoxyphenyl)methylamino]-2-(3-methylphenyl)quinazolin-4-one

C23H21N3O2 — CID 23907241

IUPAC3-[(4-methoxyphenyl)methylamino]-2-(3-methylphenyl)quinazolin-4-one
SMILESCOc1ccc(CNn2c(-c3cccc(C)c3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H21N3O2/c1-16-6-5-7-18(14-16)22-25-21-9-4-3-8-20(21)23(27)26(22)24-15-17-10-12-19(28-2)13-11-17/h3-14,24H,15H2,1-2H3
InChIKeyRWJRTYMUFAETKN-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.12
Rot. Bonds5

About 3-[(4-methoxyphenyl)methylamino]-2-(3-methylphenyl)quinazolin-4-one

3-[(4-methoxyphenyl)methylamino]-2-(3-methylphenyl)quinazolin-4-one (PubChem CID 23907241) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methylamino]-2-(3-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methylamino]-2-(3-methylphenyl)quinazolin-4-one
PubChem CID23907241
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name3-[(4-methoxyphenyl)methylamino]-2-(3-methylphenyl)quinazolin-4-one
SMILESCOc1ccc(CNn2c(-c3cccc(C)c3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H21N3O2/c1-16-6-5-7-18(14-16)22-25-21-9-4-3-8-20(21)23(27)26(22)24-15-17-10-12-19(28-2)13-11-17/h3-14,24H,15H2,1-2H3
InChIKeyRWJRTYMUFAETKN-UHFFFAOYSA-N
XLogP4.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methylamino]-2-(3-methylphenyl)quinazolin-4-one?
The IUPAC name of 3-[(4-methoxyphenyl)methylamino]-2-(3-methylphenyl)quinazolin-4-one (CID 23907241) is 3-[(4-methoxyphenyl)methylamino]-2-(3-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 3-[(4-methoxyphenyl)methylamino]-2-(3-methylphenyl)quinazolin-4-one?
The canonical SMILES for 3-[(4-methoxyphenyl)methylamino]-2-(3-methylphenyl)quinazolin-4-one is COc1ccc(CNn2c(-c3cccc(C)c3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methylamino]-2-(3-methylphenyl)quinazolin-4-one?
The InChIKey is RWJRTYMUFAETKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-16-6-5-7-18(14-16)22-25-21-9-4-3-8-20(21)23(27)26(22)24-15-17-10-12-19(28-2)13-11-17/h3-14,24H,15H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)methylamino]-2-(3-methylphenyl)quinazolin-4-one?
3-[(4-methoxyphenyl)methylamino]-2-(3-methylphenyl)quinazolin-4-one has a molecular weight of 371.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methylamino]-2-(3-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 23907241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).