7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one

C16H13FN2O — CID 40743657

IUPAC7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one
SMILESCc1ccc(Cn2cnc3cc(F)ccc3c2=O)cc1
InChIInChI=1S/C16H13FN2O/c1-11-2-4-12(5-3-11)9-19-10-18-15-8-13(17)6-7-14(15)16(19)20/h2-8,10H,9H2,1H3
InChIKeyMQZBDGUMCSAYEG-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.89
Rot. Bonds2

About 7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one

7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one (PubChem CID 40743657) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one
PubChem CID40743657
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one
SMILESCc1ccc(Cn2cnc3cc(F)ccc3c2=O)cc1
InChIInChI=1S/C16H13FN2O/c1-11-2-4-12(5-3-11)9-19-10-18-15-8-13(17)6-7-14(15)16(19)20/h2-8,10H,9H2,1H3
InChIKeyMQZBDGUMCSAYEG-UHFFFAOYSA-N
XLogP2.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-7-fluoroquinazolin-4-one
CID 17474862
7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 118722436
7-chloro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 853041
7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one
CID 27076082
3-[(3-chlorophenyl)methyl]-7-fluoroquinazolin-4-one
CID 40743497
7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one
CID 18099398
3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
7-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]quinazolin-4-one
CID 18099412
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
CID 40743532
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one
CID 40743761
3-(2-bromoethyl)-7-fluoroquinazolin-4-one
CID 122191245
3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one
CID 24524274

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one (CID 40743657) is 7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one is Cc1ccc(Cn2cnc3cc(F)ccc3c2=O)cc1.
What is the InChIKey of 7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one?
The InChIKey is MQZBDGUMCSAYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-11-2-4-12(5-3-11)9-19-10-18-15-8-13(17)6-7-14(15)16(19)20/h2-8,10H,9H2,1H3.
What are the key properties of 7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one?
7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one has a molecular weight of 268.29 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 40743657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).