2-[2-hydroxy-5-(6-methoxy-3-pyridinyl)phenyl]-3H-quinazolin-4-one

C20H15N3O3 — CID 168553345

IUPAC2-[2-hydroxy-5-(6-methoxy-3-pyridinyl)phenyl]-3H-quinazolin-4-one
SMILESCOc1ccc(-c2ccc(O)c(-c3nc4ccccc4c(=O)[nH]3)c2)cn1
InChIInChI=1S/C20H15N3O3/c1-26-18-9-7-13(11-21-18)12-6-8-17(24)15(10-12)19-22-16-5-3-2-4-14(16)20(25)23-19/h2-11,24H,1H3,(H,22,23,25)
InChIKeyRPODLVFICGBLPA-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.37
Rot. Bonds3

About 2-[2-hydroxy-5-(6-methoxy-3-pyridinyl)phenyl]-3H-quinazolin-4-one

2-[2-hydroxy-5-(6-methoxy-3-pyridinyl)phenyl]-3H-quinazolin-4-one (PubChem CID 168553345) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-[2-hydroxy-5-(6-methoxy-3-pyridinyl)phenyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-hydroxy-5-(6-methoxy-3-pyridinyl)phenyl]-3H-quinazolin-4-one
PubChem CID168553345
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name2-[2-hydroxy-5-(6-methoxy-3-pyridinyl)phenyl]-3H-quinazolin-4-one
SMILESCOc1ccc(-c2ccc(O)c(-c3nc4ccccc4c(=O)[nH]3)c2)cn1
InChIInChI=1S/C20H15N3O3/c1-26-18-9-7-13(11-21-18)12-6-8-17(24)15(10-12)19-22-16-5-3-2-4-14(16)20(25)23-19/h2-11,24H,1H3,(H,22,23,25)
InChIKeyRPODLVFICGBLPA-UHFFFAOYSA-N
XLogP3.37
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-5-(6-methoxy-3-pyridinyl)phenyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-hydroxy-5-(6-methoxy-3-pyridinyl)phenyl]-3H-quinazolin-4-one (CID 168553345) is 2-[2-hydroxy-5-(6-methoxy-3-pyridinyl)phenyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-hydroxy-5-(6-methoxy-3-pyridinyl)phenyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-hydroxy-5-(6-methoxy-3-pyridinyl)phenyl]-3H-quinazolin-4-one is COc1ccc(-c2ccc(O)c(-c3nc4ccccc4c(=O)[nH]3)c2)cn1.
What is the InChIKey of 2-[2-hydroxy-5-(6-methoxy-3-pyridinyl)phenyl]-3H-quinazolin-4-one?
The InChIKey is RPODLVFICGBLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-26-18-9-7-13(11-21-18)12-6-8-17(24)15(10-12)19-22-16-5-3-2-4-14(16)20(25)23-19/h2-11,24H,1H3,(H,22,23,25).
What are the key properties of 2-[2-hydroxy-5-(6-methoxy-3-pyridinyl)phenyl]-3H-quinazolin-4-one?
2-[2-hydroxy-5-(6-methoxy-3-pyridinyl)phenyl]-3H-quinazolin-4-one has a molecular weight of 345.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-5-(6-methoxy-3-pyridinyl)phenyl]-3H-quinazolin-4-one is sourced from PubChem (CID 168553345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).