2-[3-(2-fluoro-1-hydroxyethyl)phenyl]-6,7-dimethoxy-3H-quinazolin-4-one

C18H17FN2O4 — CID 167846202

IUPAC2-[3-(2-fluoro-1-hydroxyethyl)phenyl]-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCOc1cc2nc(-c3cccc(C(O)CF)c3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C18H17FN2O4/c1-24-15-7-12-13(8-16(15)25-2)20-17(21-18(12)23)11-5-3-4-10(6-11)14(22)9-19/h3-8,14,22H,9H2,1-2H3,(H,20,21,23)
InChIKeyUKFBLYXKWKDSNN-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.61
Rot. Bonds5

About 2-[3-(2-fluoro-1-hydroxyethyl)phenyl]-6,7-dimethoxy-3H-quinazolin-4-one

2-[3-(2-fluoro-1-hydroxyethyl)phenyl]-6,7-dimethoxy-3H-quinazolin-4-one (PubChem CID 167846202) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is 2-[3-(2-fluoro-1-hydroxyethyl)phenyl]-6,7-dimethoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-(2-fluoro-1-hydroxyethyl)phenyl]-6,7-dimethoxy-3H-quinazolin-4-one
PubChem CID167846202
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name2-[3-(2-fluoro-1-hydroxyethyl)phenyl]-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCOc1cc2nc(-c3cccc(C(O)CF)c3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C18H17FN2O4/c1-24-15-7-12-13(8-16(15)25-2)20-17(21-18(12)23)11-5-3-4-10(6-11)14(22)9-19/h3-8,14,22H,9H2,1-2H3,(H,20,21,23)
InChIKeyUKFBLYXKWKDSNN-UHFFFAOYSA-N
XLogP2.61
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoro-1-hydroxyethyl)phenyl]-6,7-dimethoxy-3H-quinazolin-4-one?
The IUPAC name of 2-[3-(2-fluoro-1-hydroxyethyl)phenyl]-6,7-dimethoxy-3H-quinazolin-4-one (CID 167846202) is 2-[3-(2-fluoro-1-hydroxyethyl)phenyl]-6,7-dimethoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-(2-fluoro-1-hydroxyethyl)phenyl]-6,7-dimethoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-(2-fluoro-1-hydroxyethyl)phenyl]-6,7-dimethoxy-3H-quinazolin-4-one is COc1cc2nc(-c3cccc(C(O)CF)c3)[nH]c(=O)c2cc1OC.
What is the InChIKey of 2-[3-(2-fluoro-1-hydroxyethyl)phenyl]-6,7-dimethoxy-3H-quinazolin-4-one?
The InChIKey is UKFBLYXKWKDSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c1-24-15-7-12-13(8-16(15)25-2)20-17(21-18(12)23)11-5-3-4-10(6-11)14(22)9-19/h3-8,14,22H,9H2,1-2H3,(H,20,21,23).
What are the key properties of 2-[3-(2-fluoro-1-hydroxyethyl)phenyl]-6,7-dimethoxy-3H-quinazolin-4-one?
2-[3-(2-fluoro-1-hydroxyethyl)phenyl]-6,7-dimethoxy-3H-quinazolin-4-one has a molecular weight of 344.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoro-1-hydroxyethyl)phenyl]-6,7-dimethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 167846202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).