6-chloro-2-(3-fluoro-5-hydroxyphenyl)-3H-quinazolin-4-one

C14H8ClFN2O2 — CID 167985488

IUPAC6-chloro-2-(3-fluoro-5-hydroxyphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc(O)cc(F)c2)nc2ccc(Cl)cc12
InChIInChI=1S/C14H8ClFN2O2/c15-8-1-2-12-11(5-8)14(20)18-13(17-12)7-3-9(16)6-10(19)4-7/h1-6,19H,(H,17,18,20)
InChIKeyNALLLMLPGMCHMH-UHFFFAOYSA-N
MW290.68 g/mol
LogP3.09
Rot. Bonds1

About 6-chloro-2-(3-fluoro-5-hydroxyphenyl)-3H-quinazolin-4-one

6-chloro-2-(3-fluoro-5-hydroxyphenyl)-3H-quinazolin-4-one (PubChem CID 167985488) has the molecular formula C14H8ClFN2O2 and a molecular weight of 290.68 g/mol. Its IUPAC name is 6-chloro-2-(3-fluoro-5-hydroxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-(3-fluoro-5-hydroxyphenyl)-3H-quinazolin-4-one
PubChem CID167985488
Molecular FormulaC14H8ClFN2O2
Molecular Weight290.68 g/mol
Exact Mass290.03
IUPAC Name6-chloro-2-(3-fluoro-5-hydroxyphenyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cc(O)cc(F)c2)nc2ccc(Cl)cc12
InChIInChI=1S/C14H8ClFN2O2/c15-8-1-2-12-11(5-8)14(20)18-13(17-12)7-3-9(16)6-10(19)4-7/h1-6,19H,(H,17,18,20)
InChIKeyNALLLMLPGMCHMH-UHFFFAOYSA-N
XLogP3.09
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-fluoro-5-hydroxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 6-chloro-2-(3-fluoro-5-hydroxyphenyl)-3H-quinazolin-4-one (CID 167985488) is 6-chloro-2-(3-fluoro-5-hydroxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-(3-fluoro-5-hydroxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 6-chloro-2-(3-fluoro-5-hydroxyphenyl)-3H-quinazolin-4-one is O=c1[nH]c(-c2cc(O)cc(F)c2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(3-fluoro-5-hydroxyphenyl)-3H-quinazolin-4-one?
The InChIKey is NALLLMLPGMCHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O2/c15-8-1-2-12-11(5-8)14(20)18-13(17-12)7-3-9(16)6-10(19)4-7/h1-6,19H,(H,17,18,20).
What are the key properties of 6-chloro-2-(3-fluoro-5-hydroxyphenyl)-3H-quinazolin-4-one?
6-chloro-2-(3-fluoro-5-hydroxyphenyl)-3H-quinazolin-4-one has a molecular weight of 290.68 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-fluoro-5-hydroxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 167985488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).