7-chloro-1-(4-fluoro-3-hydroxyphenyl)quinazoline-2,4-dione

C14H8ClFN2O3 — CID 147904900

IUPAC7-chloro-1-(4-fluoro-3-hydroxyphenyl)quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc(F)c(O)c2)c2cc(Cl)ccc12
InChIInChI=1S/C14H8ClFN2O3/c15-7-1-3-9-11(5-7)18(14(21)17-13(9)20)8-2-4-10(16)12(19)6-8/h1-6,19H,(H,17,20,21)
InChIKeyIEZLAKHHTZUSQD-UHFFFAOYSA-N
MW306.68 g/mol
LogP2.18
Rot. Bonds1

About 7-chloro-1-(4-fluoro-3-hydroxyphenyl)quinazoline-2,4-dione

7-chloro-1-(4-fluoro-3-hydroxyphenyl)quinazoline-2,4-dione (PubChem CID 147904900) has the molecular formula C14H8ClFN2O3 and a molecular weight of 306.68 g/mol. Its IUPAC name is 7-chloro-1-(4-fluoro-3-hydroxyphenyl)quinazoline-2,4-dione.

Molecular Properties

Compound Name7-chloro-1-(4-fluoro-3-hydroxyphenyl)quinazoline-2,4-dione
PubChem CID147904900
Molecular FormulaC14H8ClFN2O3
Molecular Weight306.68 g/mol
Exact Mass306.02
IUPAC Name7-chloro-1-(4-fluoro-3-hydroxyphenyl)quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2ccc(F)c(O)c2)c2cc(Cl)ccc12
InChIInChI=1S/C14H8ClFN2O3/c15-7-1-3-9-11(5-7)18(14(21)17-13(9)20)8-2-4-10(16)12(19)6-8/h1-6,19H,(H,17,20,21)
InChIKeyIEZLAKHHTZUSQD-UHFFFAOYSA-N
XLogP2.18
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.68
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(4-fluoro-3-hydroxyphenyl)quinazoline-2,4-dione?
The IUPAC name of 7-chloro-1-(4-fluoro-3-hydroxyphenyl)quinazoline-2,4-dione (CID 147904900) is 7-chloro-1-(4-fluoro-3-hydroxyphenyl)quinazoline-2,4-dione.
What is the SMILES notation for 7-chloro-1-(4-fluoro-3-hydroxyphenyl)quinazoline-2,4-dione?
The canonical SMILES for 7-chloro-1-(4-fluoro-3-hydroxyphenyl)quinazoline-2,4-dione is O=c1[nH]c(=O)n(-c2ccc(F)c(O)c2)c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-1-(4-fluoro-3-hydroxyphenyl)quinazoline-2,4-dione?
The InChIKey is IEZLAKHHTZUSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O3/c15-7-1-3-9-11(5-7)18(14(21)17-13(9)20)8-2-4-10(16)12(19)6-8/h1-6,19H,(H,17,20,21).
What are the key properties of 7-chloro-1-(4-fluoro-3-hydroxyphenyl)quinazoline-2,4-dione?
7-chloro-1-(4-fluoro-3-hydroxyphenyl)quinazoline-2,4-dione has a molecular weight of 306.68 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(4-fluoro-3-hydroxyphenyl)quinazoline-2,4-dione is sourced from PubChem (CID 147904900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).