2-(5-fluoro-2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one

C15H13FN2O — CID 62388943

IUPAC2-(5-fluoro-2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(F)cc1-c1ncc2c(n1)CCCC2=O
InChIInChI=1S/C15H13FN2O/c1-9-5-6-10(16)7-11(9)15-17-8-12-13(18-15)3-2-4-14(12)19/h5-8H,2-4H2,1H3
InChIKeyMITHRZYUIBWNPV-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.11
Rot. Bonds1

About 2-(5-fluoro-2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one

2-(5-fluoro-2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 62388943) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID62388943
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name2-(5-fluoro-2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ccc(F)cc1-c1ncc2c(n1)CCCC2=O
InChIInChI=1S/C15H13FN2O/c1-9-5-6-10(16)7-11(9)15-17-8-12-13(18-15)3-2-4-14(12)19/h5-8H,2-4H2,1H3
InChIKeyMITHRZYUIBWNPV-UHFFFAOYSA-N
XLogP3.11
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one (CID 62388943) is 2-(5-fluoro-2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one is Cc1ccc(F)cc1-c1ncc2c(n1)CCCC2=O.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is MITHRZYUIBWNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-9-5-6-10(16)7-11(9)15-17-8-12-13(18-15)3-2-4-14(12)19/h5-8H,2-4H2,1H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one?
2-(5-fluoro-2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 256.28 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 62388943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).