7-fluoro-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]quinazolin-4-one

C16H15FN2O4 — CID 51981456

IUPAC7-fluoro-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]quinazolin-4-one
SMILESO=c1c2ccc(F)cc2ncn1C[C@H](O)COCc1ccco1
InChIInChI=1S/C16H15FN2O4/c17-11-3-4-14-15(6-11)18-10-19(16(14)21)7-12(20)8-22-9-13-2-1-5-23-13/h1-6,10,12,20H,7-9H2/t12-/m0/s1
InChIKeyKJOYJKHACDOUJC-LBPRGKRZSA-N
MW318.30 g/mol
LogP1.71
Rot. Bonds6

About 7-fluoro-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]quinazolin-4-one

7-fluoro-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]quinazolin-4-one (PubChem CID 51981456) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 7-fluoro-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]quinazolin-4-one
PubChem CID51981456
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name7-fluoro-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]quinazolin-4-one
SMILESO=c1c2ccc(F)cc2ncn1C[C@H](O)COCc1ccco1
InChIInChI=1S/C16H15FN2O4/c17-11-3-4-14-15(6-11)18-10-19(16(14)21)7-12(20)8-22-9-13-2-1-5-23-13/h1-6,10,12,20H,7-9H2/t12-/m0/s1
InChIKeyKJOYJKHACDOUJC-LBPRGKRZSA-N
XLogP1.71
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]quinazolin-4-one (CID 51981456) is 7-fluoro-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]quinazolin-4-one is O=c1c2ccc(F)cc2ncn1C[C@H](O)COCc1ccco1.
What is the InChIKey of 7-fluoro-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]quinazolin-4-one?
The InChIKey is KJOYJKHACDOUJC-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H15FN2O4/c17-11-3-4-14-15(6-11)18-10-19(16(14)21)7-12(20)8-22-9-13-2-1-5-23-13/h1-6,10,12,20H,7-9H2/t12-/m0/s1.
What are the key properties of 7-fluoro-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]quinazolin-4-one?
7-fluoro-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]quinazolin-4-one has a molecular weight of 318.30 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]quinazolin-4-one is sourced from PubChem (CID 51981456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).