7-fluoro-6-(4-fluorophenoxy)-2-[(3S)-oxolan-3-yl]-3H-quinazolin-4-one

C18H14F2N2O3 — CID 136773108

IUPAC7-fluoro-6-(4-fluorophenoxy)-2-[(3S)-oxolan-3-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c([C@@H]2CCOC2)nc2cc(F)c(Oc3ccc(F)cc3)cc12
InChIInChI=1S/C18H14F2N2O3/c19-11-1-3-12(4-2-11)25-16-7-13-15(8-14(16)20)21-17(22-18(13)23)10-5-6-24-9-10/h1-4,7-8,10H,5-6,9H2,(H,21,22,23)/t10-/m1/s1
InChIKeyLZEKXRKYARSGRP-SNVBAGLBSA-N
MW344.32 g/mol
LogP3.50
Rot. Bonds3

About 7-fluoro-6-(4-fluorophenoxy)-2-[(3S)-oxolan-3-yl]-3H-quinazolin-4-one

7-fluoro-6-(4-fluorophenoxy)-2-[(3S)-oxolan-3-yl]-3H-quinazolin-4-one (PubChem CID 136773108) has the molecular formula C18H14F2N2O3 and a molecular weight of 344.32 g/mol. Its IUPAC name is 7-fluoro-6-(4-fluorophenoxy)-2-[(3S)-oxolan-3-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-6-(4-fluorophenoxy)-2-[(3S)-oxolan-3-yl]-3H-quinazolin-4-one
PubChem CID136773108
Molecular FormulaC18H14F2N2O3
Molecular Weight344.32 g/mol
Exact Mass344.10
IUPAC Name7-fluoro-6-(4-fluorophenoxy)-2-[(3S)-oxolan-3-yl]-3H-quinazolin-4-one
SMILESO=c1[nH]c([C@@H]2CCOC2)nc2cc(F)c(Oc3ccc(F)cc3)cc12
InChIInChI=1S/C18H14F2N2O3/c19-11-1-3-12(4-2-11)25-16-7-13-15(8-14(16)20)21-17(22-18(13)23)10-5-6-24-9-10/h1-4,7-8,10H,5-6,9H2,(H,21,22,23)/t10-/m1/s1
InChIKeyLZEKXRKYARSGRP-SNVBAGLBSA-N
XLogP3.50
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-(4-fluorophenoxy)-2-[(3S)-oxolan-3-yl]-3H-quinazolin-4-one?
The IUPAC name of 7-fluoro-6-(4-fluorophenoxy)-2-[(3S)-oxolan-3-yl]-3H-quinazolin-4-one (CID 136773108) is 7-fluoro-6-(4-fluorophenoxy)-2-[(3S)-oxolan-3-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-fluoro-6-(4-fluorophenoxy)-2-[(3S)-oxolan-3-yl]-3H-quinazolin-4-one?
The canonical SMILES for 7-fluoro-6-(4-fluorophenoxy)-2-[(3S)-oxolan-3-yl]-3H-quinazolin-4-one is O=c1[nH]c([C@@H]2CCOC2)nc2cc(F)c(Oc3ccc(F)cc3)cc12.
What is the InChIKey of 7-fluoro-6-(4-fluorophenoxy)-2-[(3S)-oxolan-3-yl]-3H-quinazolin-4-one?
The InChIKey is LZEKXRKYARSGRP-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H14F2N2O3/c19-11-1-3-12(4-2-11)25-16-7-13-15(8-14(16)20)21-17(22-18(13)23)10-5-6-24-9-10/h1-4,7-8,10H,5-6,9H2,(H,21,22,23)/t10-/m1/s1.
What are the key properties of 7-fluoro-6-(4-fluorophenoxy)-2-[(3S)-oxolan-3-yl]-3H-quinazolin-4-one?
7-fluoro-6-(4-fluorophenoxy)-2-[(3S)-oxolan-3-yl]-3H-quinazolin-4-one has a molecular weight of 344.32 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-(4-fluorophenoxy)-2-[(3S)-oxolan-3-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 136773108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).