2-(3-fluoro-5-methoxy-2-pyridinyl)-5,7-dimethoxy-3H-quinazolin-4-one

C16H14FN3O4 — CID 137161679

IUPAC2-(3-fluoro-5-methoxy-2-pyridinyl)-5,7-dimethoxy-3H-quinazolin-4-one
SMILESCOc1cnc(-c2nc3cc(OC)cc(OC)c3c(=O)[nH]2)c(F)c1
InChIInChI=1S/C16H14FN3O4/c1-22-8-5-11-13(12(6-8)24-3)16(21)20-15(19-11)14-10(17)4-9(23-2)7-18-14/h4-7H,1-3H3,(H,19,20,21)
InChIKeyVALHYWRFXWHDKC-UHFFFAOYSA-N
MW331.30 g/mol
LogP2.15
Rot. Bonds4

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

2-(3-fluoro-5-methoxy-2-pyridinyl)-5,7-dimethoxy-3H-quinazolin-4-one (PubChem CID 137161679) has the molecular formula C16H14FN3O4 and a molecular weight of 331.30 g/mol. Its IUPAC name is 2-(3-fluoro-5-methoxy-2-pyridinyl)-5,7-dimethoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-fluoro-5-methoxy-2-pyridinyl)-5,7-dimethoxy-3H-quinazolin-4-one
PubChem CID137161679
Molecular FormulaC16H14FN3O4
Molecular Weight331.30 g/mol
Exact Mass331.10
IUPAC Name2-(3-fluoro-5-methoxy-2-pyridinyl)-5,7-dimethoxy-3H-quinazolin-4-one
SMILESCOc1cnc(-c2nc3cc(OC)cc(OC)c3c(=O)[nH]2)c(F)c1
InChIInChI=1S/C16H14FN3O4/c1-22-8-5-11-13(12(6-8)24-3)16(21)20-15(19-11)14-10(17)4-9(23-2)7-18-14/h4-7H,1-3H3,(H,19,20,21)
InChIKeyVALHYWRFXWHDKC-UHFFFAOYSA-N
XLogP2.15
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methoxy-2-pyridinyl)-5,7-dimethoxy-3H-quinazolin-4-one?
The IUPAC name of 2-(3-fluoro-5-methoxy-2-pyridinyl)-5,7-dimethoxy-3H-quinazolin-4-one (CID 137161679) is 2-(3-fluoro-5-methoxy-2-pyridinyl)-5,7-dimethoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3-fluoro-5-methoxy-2-pyridinyl)-5,7-dimethoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-(3-fluoro-5-methoxy-2-pyridinyl)-5,7-dimethoxy-3H-quinazolin-4-one is COc1cnc(-c2nc3cc(OC)cc(OC)c3c(=O)[nH]2)c(F)c1.
What is the InChIKey of 2-(3-fluoro-5-methoxy-2-pyridinyl)-5,7-dimethoxy-3H-quinazolin-4-one?
The InChIKey is VALHYWRFXWHDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O4/c1-22-8-5-11-13(12(6-8)24-3)16(21)20-15(19-11)14-10(17)4-9(23-2)7-18-14/h4-7H,1-3H3,(H,19,20,21).
What are the key properties of 2-(3-fluoro-5-methoxy-2-pyridinyl)-5,7-dimethoxy-3H-quinazolin-4-one?
2-(3-fluoro-5-methoxy-2-pyridinyl)-5,7-dimethoxy-3H-quinazolin-4-one has a molecular weight of 331.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methoxy-2-pyridinyl)-5,7-dimethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 137161679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).