6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one

C16H14FN3O — CID 2040

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IUPAC6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one
SMILESCc1ccccc1-n1c(CF)nc2ccc(N)cc2c1=O
InChIInChI=1S/C16H14FN3O/c1-10-4-2-3-5-14(10)20-15(9-17)19-13-7-6-11(18)8-12(13)16(20)21/h2-8H,9,18H2,1H3
InChIKeyVDOSWXIDETXFET-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.75
Rot. Bonds2

About 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one

6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one (PubChem CID 2040) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one
PubChem CID2040
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one
SMILESCc1ccccc1-n1c(CF)nc2ccc(N)cc2c1=O
InChIInChI=1S/C16H14FN3O/c1-10-4-2-3-5-14(10)20-15(9-17)19-13-7-6-11(18)8-12(13)16(20)21/h2-8H,9,18H2,1H3
InChIKeyVDOSWXIDETXFET-UHFFFAOYSA-N
XLogP2.75
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Methaqualone
CID 6292
2-Methyl-4(3H)-quinazolinone
CID 135400457
3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one
CID 63382
4(3H)-Quinazolinone, 2-methyl-3-(2-methylphenyl)-, hydrochloride (1:1)
CID 63196
2-Phenyl-4(3H)-Quinazolinone
CID 135400456
3-(2-Ethylphenyl)-2-methyl-4(3H)-quinazolinone
CID 23914
ME0328
CID 135566764
3-phenyl-3H-quinazolin-4-one
CID 785275
2-(Trifluoromethyl)-3,4-dihydroquinazolin-4-one
CID 135415531
Arborine
CID 63123
Glycosminine
CID 135426527
3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one
CID 25229546

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one?
The IUPAC name of 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one (CID 2040) is 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one?
The canonical SMILES for 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one is Cc1ccccc1-n1c(CF)nc2ccc(N)cc2c1=O.
What is the InChIKey of 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one?
The InChIKey is VDOSWXIDETXFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-10-4-2-3-5-14(10)20-15(9-17)19-13-7-6-11(18)8-12(13)16(20)21/h2-8H,9,18H2,1H3.
What are the key properties of 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one?
6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one has a molecular weight of 283.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 2040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).