2-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one

C17H16FN3O5 — CID 137051753

IUPAC2-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3ncc(OCCO)cc3F)nc2c1
InChIInChI=1S/C17H16FN3O5/c1-24-9-6-12-14(13(7-9)25-2)17(23)21-16(20-12)15-11(18)5-10(8-19-15)26-4-3-22/h5-8,22H,3-4H2,1-2H3,(H,20,21,23)
InChIKeyYUMGSWZDSBKCTC-UHFFFAOYSA-N
MW361.33 g/mol
LogP1.51
Rot. Bonds6

About 2-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one

2-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one (PubChem CID 137051753) has the molecular formula C17H16FN3O5 and a molecular weight of 361.33 g/mol. Its IUPAC name is 2-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one
PubChem CID137051753
Molecular FormulaC17H16FN3O5
Molecular Weight361.33 g/mol
Exact Mass361.11
IUPAC Name2-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one
SMILESCOc1cc(OC)c2c(=O)[nH]c(-c3ncc(OCCO)cc3F)nc2c1
InChIInChI=1S/C17H16FN3O5/c1-24-9-6-12-14(13(7-9)25-2)17(23)21-16(20-12)15-11(18)5-10(8-19-15)26-4-3-22/h5-8,22H,3-4H2,1-2H3,(H,20,21,23)
InChIKeyYUMGSWZDSBKCTC-UHFFFAOYSA-N
XLogP1.51
TPSA106.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one?
The IUPAC name of 2-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one (CID 137051753) is 2-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one is COc1cc(OC)c2c(=O)[nH]c(-c3ncc(OCCO)cc3F)nc2c1.
What is the InChIKey of 2-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one?
The InChIKey is YUMGSWZDSBKCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O5/c1-24-9-6-12-14(13(7-9)25-2)17(23)21-16(20-12)15-11(18)5-10(8-19-15)26-4-3-22/h5-8,22H,3-4H2,1-2H3,(H,20,21,23).
What are the key properties of 2-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one?
2-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one has a molecular weight of 361.33 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(2-hydroxyethoxy)-2-pyridinyl]-5,7-dimethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 137051753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).