3-benzyl-7-fluoroquinazolin-4-one

C15H11FN2O — CID 17474862

IUPAC3-benzyl-7-fluoroquinazolin-4-one
SMILESO=c1c2ccc(F)cc2ncn1Cc1ccccc1
InChIInChI=1S/C15H11FN2O/c16-12-6-7-13-14(8-12)17-10-18(15(13)19)9-11-4-2-1-3-5-11/h1-8,10H,9H2
InChIKeyLQGHNDCLGFUZLB-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.58
Rot. Bonds2

About 3-benzyl-7-fluoroquinazolin-4-one

3-benzyl-7-fluoroquinazolin-4-one (PubChem CID 17474862) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 3-benzyl-7-fluoroquinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-7-fluoroquinazolin-4-one
PubChem CID17474862
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name3-benzyl-7-fluoroquinazolin-4-one
SMILESO=c1c2ccc(F)cc2ncn1Cc1ccccc1
InChIInChI=1S/C15H11FN2O/c16-12-6-7-13-14(8-12)17-10-18(15(13)19)9-11-4-2-1-3-5-11/h1-8,10H,9H2
InChIKeyLQGHNDCLGFUZLB-UHFFFAOYSA-N
XLogP2.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(4-methylphenyl)methyl]quinazolin-4-one
CID 40743657
3-benzyl-7-bromoquinazolin-4-one
CID 23158166
7-fluoro-3-[(4-methoxyphenyl)methyl]quinazolin-4-one
CID 118722436
3-benzyl-7-hydrazinylquinazolin-4-one
CID 69437236
3-[(2,3-difluorophenyl)methyl]-7-fluoroquinazolin-4-one
CID 24524274
7-fluoro-3-[(3-fluoro-4-methoxyphenyl)methyl]quinazolin-4-one
CID 18099398
3-(2-bromoethyl)-7-fluoroquinazolin-4-one
CID 122191245
3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid
CID 112707958
3-benzyl-6-hydroxy-7-methylquinazolin-4-one
CID 58824218
N-benzyl-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide
CID 40743682

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-fluoroquinazolin-4-one?
The IUPAC name of 3-benzyl-7-fluoroquinazolin-4-one (CID 17474862) is 3-benzyl-7-fluoroquinazolin-4-one.
What is the SMILES notation for 3-benzyl-7-fluoroquinazolin-4-one?
The canonical SMILES for 3-benzyl-7-fluoroquinazolin-4-one is O=c1c2ccc(F)cc2ncn1Cc1ccccc1.
What is the InChIKey of 3-benzyl-7-fluoroquinazolin-4-one?
The InChIKey is LQGHNDCLGFUZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-12-6-7-13-14(8-12)17-10-18(15(13)19)9-11-4-2-1-3-5-11/h1-8,10H,9H2.
What are the key properties of 3-benzyl-7-fluoroquinazolin-4-one?
3-benzyl-7-fluoroquinazolin-4-one has a molecular weight of 254.26 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-fluoroquinazolin-4-one is sourced from PubChem (CID 17474862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).