7-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]quinazolin-4-one

C17H15FN2O2 — CID 18099412

IUPAC7-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]quinazolin-4-one
SMILESCOc1ccc(C)cc1Cn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C17H15FN2O2/c1-11-3-6-16(22-2)12(7-11)9-20-10-19-15-8-13(18)4-5-14(15)17(20)21/h3-8,10H,9H2,1-2H3
InChIKeyRFOLCFISJTUDPV-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.90
Rot. Bonds3

About 7-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]quinazolin-4-one

7-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]quinazolin-4-one (PubChem CID 18099412) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is 7-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]quinazolin-4-one
PubChem CID18099412
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name7-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]quinazolin-4-one
SMILESCOc1ccc(C)cc1Cn1cnc2cc(F)ccc2c1=O
InChIInChI=1S/C17H15FN2O2/c1-11-3-6-16(22-2)12(7-11)9-20-10-19-15-8-13(18)4-5-14(15)17(20)21/h3-8,10H,9H2,1-2H3
InChIKeyRFOLCFISJTUDPV-UHFFFAOYSA-N
XLogP2.90
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-3-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]quinazolin-4-one
CID 47088424
7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one
CID 18099398
7-fluoro-3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 40743657
7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 118722436
3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-6-methylquinazolin-4-one
CID 46484257
6-ethyl-3-[(5-fluoro-2-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 18203155
3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one
CID 24524274
7-fluoro-3-[[3-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]phenyl]methyl]quinazolin-4-one
CID 27076082
3-benzyl-7-fluoroquinazolin-4-one
CID 17474862
3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-7-fluoroquinazolin-4-one
CID 40743761
7-bromo-3-[(2-chloro-5-fluorophenyl)methyl]quinazolin-4-one
CID 102604909
3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-7-fluoroquinazolin-4-one
CID 39005114

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]quinazolin-4-one (CID 18099412) is 7-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]quinazolin-4-one is COc1ccc(C)cc1Cn1cnc2cc(F)ccc2c1=O.
What is the InChIKey of 7-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]quinazolin-4-one?
The InChIKey is RFOLCFISJTUDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-11-3-6-16(22-2)12(7-11)9-20-10-19-15-8-13(18)4-5-14(15)17(20)21/h3-8,10H,9H2,1-2H3.
What are the key properties of 7-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]quinazolin-4-one?
7-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]quinazolin-4-one has a molecular weight of 298.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(2-methoxy-5-methylphenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 18099412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).