5,7-dichloro-8-hydroxy-3-(5-methoxy-2-pyridinyl)quinazolin-4-one

C14H9Cl2N3O3 — CID 11638623

IUPAC5,7-dichloro-8-hydroxy-3-(5-methoxy-2-pyridinyl)quinazolin-4-one
SMILESCOc1ccc(-n2cnc3c(O)c(Cl)cc(Cl)c3c2=O)nc1
InChIInChI=1S/C14H9Cl2N3O3/c1-22-7-2-3-10(17-5-7)19-6-18-12-11(14(19)21)8(15)4-9(16)13(12)20/h2-6,20H,1H3
InChIKeyXFZRQNKQLDFDLV-UHFFFAOYSA-N
MW338.15 g/mol
LogP2.80
Rot. Bonds2

About 5,7-dichloro-8-hydroxy-3-(5-methoxy-2-pyridinyl)quinazolin-4-one

5,7-dichloro-8-hydroxy-3-(5-methoxy-2-pyridinyl)quinazolin-4-one (PubChem CID 11638623) has the molecular formula C14H9Cl2N3O3 and a molecular weight of 338.15 g/mol. Its IUPAC name is 5,7-dichloro-8-hydroxy-3-(5-methoxy-2-pyridinyl)quinazolin-4-one.

Molecular Properties

Compound Name5,7-dichloro-8-hydroxy-3-(5-methoxy-2-pyridinyl)quinazolin-4-one
PubChem CID11638623
Molecular FormulaC14H9Cl2N3O3
Molecular Weight338.15 g/mol
Exact Mass337.00
IUPAC Name5,7-dichloro-8-hydroxy-3-(5-methoxy-2-pyridinyl)quinazolin-4-one
SMILESCOc1ccc(-n2cnc3c(O)c(Cl)cc(Cl)c3c2=O)nc1
InChIInChI=1S/C14H9Cl2N3O3/c1-22-7-2-3-10(17-5-7)19-6-18-12-11(14(19)21)8(15)4-9(16)13(12)20/h2-6,20H,1H3
InChIKeyXFZRQNKQLDFDLV-UHFFFAOYSA-N
XLogP2.80
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-8-hydroxy-3-(5-methoxy-2-pyridinyl)quinazolin-4-one?
The IUPAC name of 5,7-dichloro-8-hydroxy-3-(5-methoxy-2-pyridinyl)quinazolin-4-one (CID 11638623) is 5,7-dichloro-8-hydroxy-3-(5-methoxy-2-pyridinyl)quinazolin-4-one.
What is the SMILES notation for 5,7-dichloro-8-hydroxy-3-(5-methoxy-2-pyridinyl)quinazolin-4-one?
The canonical SMILES for 5,7-dichloro-8-hydroxy-3-(5-methoxy-2-pyridinyl)quinazolin-4-one is COc1ccc(-n2cnc3c(O)c(Cl)cc(Cl)c3c2=O)nc1.
What is the InChIKey of 5,7-dichloro-8-hydroxy-3-(5-methoxy-2-pyridinyl)quinazolin-4-one?
The InChIKey is XFZRQNKQLDFDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O3/c1-22-7-2-3-10(17-5-7)19-6-18-12-11(14(19)21)8(15)4-9(16)13(12)20/h2-6,20H,1H3.
What are the key properties of 5,7-dichloro-8-hydroxy-3-(5-methoxy-2-pyridinyl)quinazolin-4-one?
5,7-dichloro-8-hydroxy-3-(5-methoxy-2-pyridinyl)quinazolin-4-one has a molecular weight of 338.15 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-8-hydroxy-3-(5-methoxy-2-pyridinyl)quinazolin-4-one is sourced from PubChem (CID 11638623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).