2-[(2-chloro-6-fluorophenyl)methyl]-7,8-dihydro-6H-quinazolin-5-one

C15H12ClFN2O — CID 63023526

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(Cc3c(F)cccc3Cl)ncc21
InChIInChI=1S/C15H12ClFN2O/c16-11-3-1-4-12(17)9(11)7-15-18-8-10-13(19-15)5-2-6-14(10)20/h1,3-4,8H,2,5-7H2
InChIKeyGSSYRGBOJCOEKE-UHFFFAOYSA-N
MW290.72 g/mol
LogP3.38
Rot. Bonds2

About 2-[(2-chloro-6-fluorophenyl)methyl]-7,8-dihydro-6H-quinazolin-5-one

2-[(2-chloro-6-fluorophenyl)methyl]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 63023526) has the molecular formula C15H12ClFN2O and a molecular weight of 290.72 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID63023526
Molecular FormulaC15H12ClFN2O
Molecular Weight290.72 g/mol
Exact Mass290.06
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CCCc2nc(Cc3c(F)cccc3Cl)ncc21
InChIInChI=1S/C15H12ClFN2O/c16-11-3-1-4-12(17)9(11)7-15-18-8-10-13(19-15)5-2-6-14(10)20/h1,3-4,8H,2,5-7H2
InChIKeyGSSYRGBOJCOEKE-UHFFFAOYSA-N
XLogP3.38
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.72
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazolin-5-amine
CID 63023527
2-[(2-chlorophenyl)sulfanylmethyl]-7,8-dihydro-6H-quinazolin-5-one
CID 66155065
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydroquinazoline
CID 63024377
2-(pyridin-3-ylmethyl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
CID 107384555
2-[(2-chloro-6-fluorophenyl)methyl]-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975205
2-[(3-fluorophenyl)sulfanylmethyl]-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
CID 107384747
2-[(2-chloro-6-fluorophenyl)methyl]-4-ethylpyrimidine-5-carboxylic acid
CID 63022823
2-(methoxymethyl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
CID 107384722
2-[(2-chloro-6-fluorophenyl)methyl]-8-piperidin-1-yl-5,6-dihydropyridazino[3,4-f]quinazolin-3-one
CID 95855930
2-[(4-methylphenyl)sulfanylmethyl]-7,8-dihydro-6H-quinazolin-5-one
CID 66064246
2-(2-chloro-6-fluorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62501584
2-(3-methoxypropyl)-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
CID 107384699

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-7,8-dihydro-6H-quinazolin-5-one (CID 63023526) is 2-[(2-chloro-6-fluorophenyl)methyl]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-7,8-dihydro-6H-quinazolin-5-one is O=C1CCCc2nc(Cc3c(F)cccc3Cl)ncc21.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is GSSYRGBOJCOEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c16-11-3-1-4-12(17)9(11)7-15-18-8-10-13(19-15)5-2-6-14(10)20/h1,3-4,8H,2,5-7H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-7,8-dihydro-6H-quinazolin-5-one?
2-[(2-chloro-6-fluorophenyl)methyl]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 290.72 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 63023526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).