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

C23H20FN3O — CID 991510

IUPAC2-[[(4-fluorophenyl)methylamino]methyl]-3-(4-methylphenyl)quinazolin-4-one
SMILESCc1ccc(-n2c(CNCc3ccc(F)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H20FN3O/c1-16-6-12-19(13-7-16)27-22(15-25-14-17-8-10-18(24)11-9-17)26-21-5-3-2-4-20(21)23(27)28/h2-13,25H,14-15H2,1H3
InChIKeyHBOQHWRSATUZBC-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.12
Rot. Bonds5

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

2-[[(4-fluorophenyl)methylamino]methyl]-3-(4-methylphenyl)quinazolin-4-one (PubChem CID 991510) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-[[(4-fluorophenyl)methylamino]methyl]-3-(4-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[[(4-fluorophenyl)methylamino]methyl]-3-(4-methylphenyl)quinazolin-4-one
PubChem CID991510
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name2-[[(4-fluorophenyl)methylamino]methyl]-3-(4-methylphenyl)quinazolin-4-one
SMILESCc1ccc(-n2c(CNCc3ccc(F)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C23H20FN3O/c1-16-6-12-19(13-7-16)27-22(15-25-14-17-8-10-18(24)11-9-17)26-21-5-3-2-4-20(21)23(27)28/h2-13,25H,14-15H2,1H3
InChIKeyHBOQHWRSATUZBC-UHFFFAOYSA-N
XLogP4.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-fluorophenyl)methylamino]methyl]-3-(4-methylphenyl)quinazolin-4-one?
The IUPAC name of 2-[[(4-fluorophenyl)methylamino]methyl]-3-(4-methylphenyl)quinazolin-4-one (CID 991510) is 2-[[(4-fluorophenyl)methylamino]methyl]-3-(4-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[[(4-fluorophenyl)methylamino]methyl]-3-(4-methylphenyl)quinazolin-4-one?
The canonical SMILES for 2-[[(4-fluorophenyl)methylamino]methyl]-3-(4-methylphenyl)quinazolin-4-one is Cc1ccc(-n2c(CNCc3ccc(F)cc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 2-[[(4-fluorophenyl)methylamino]methyl]-3-(4-methylphenyl)quinazolin-4-one?
The InChIKey is HBOQHWRSATUZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c1-16-6-12-19(13-7-16)27-22(15-25-14-17-8-10-18(24)11-9-17)26-21-5-3-2-4-20(21)23(27)28/h2-13,25H,14-15H2,1H3.
What are the key properties of 2-[[(4-fluorophenyl)methylamino]methyl]-3-(4-methylphenyl)quinazolin-4-one?
2-[[(4-fluorophenyl)methylamino]methyl]-3-(4-methylphenyl)quinazolin-4-one has a molecular weight of 373.43 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-fluorophenyl)methylamino]methyl]-3-(4-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 991510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).