5,7-dichloro-8-hydroxy-3-(2-pyridin-2-ylethyl)quinazolin-4-one

C15H11Cl2N3O2 — CID 11580840

IUPAC5,7-dichloro-8-hydroxy-3-(2-pyridin-2-ylethyl)quinazolin-4-one
SMILESO=c1c2c(Cl)cc(Cl)c(O)c2ncn1CCc1ccccn1
InChIInChI=1S/C15H11Cl2N3O2/c16-10-7-11(17)14(21)13-12(10)15(22)20(8-19-13)6-4-9-3-1-2-5-18-9/h1-3,5,7-8,21H,4,6H2
InChIKeyWECLGJIQRDGFQY-UHFFFAOYSA-N
MW336.18 g/mol
LogP3.05
Rot. Bonds3

About 5,7-dichloro-8-hydroxy-3-(2-pyridin-2-ylethyl)quinazolin-4-one

5,7-dichloro-8-hydroxy-3-(2-pyridin-2-ylethyl)quinazolin-4-one (PubChem CID 11580840) has the molecular formula C15H11Cl2N3O2 and a molecular weight of 336.18 g/mol. Its IUPAC name is 5,7-dichloro-8-hydroxy-3-(2-pyridin-2-ylethyl)quinazolin-4-one.

Molecular Properties

Compound Name5,7-dichloro-8-hydroxy-3-(2-pyridin-2-ylethyl)quinazolin-4-one
PubChem CID11580840
Molecular FormulaC15H11Cl2N3O2
Molecular Weight336.18 g/mol
Exact Mass335.02
IUPAC Name5,7-dichloro-8-hydroxy-3-(2-pyridin-2-ylethyl)quinazolin-4-one
SMILESO=c1c2c(Cl)cc(Cl)c(O)c2ncn1CCc1ccccn1
InChIInChI=1S/C15H11Cl2N3O2/c16-10-7-11(17)14(21)13-12(10)15(22)20(8-19-13)6-4-9-3-1-2-5-18-9/h1-3,5,7-8,21H,4,6H2
InChIKeyWECLGJIQRDGFQY-UHFFFAOYSA-N
XLogP3.05
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dichloro-8-hydroxy-3-[2-(pyridin-4-ylmethylamino)ethyl]quinazolin-4-one
CID 23651960
5,7-dichloro-3-[2-(diethylamino)ethyl]-8-hydroxyquinazolin-4-one;hydrobromide
CID 162321762
5,7-dichloro-8-hydroxy-3-[2-(pyridin-4-ylmethylamino)ethyl]quinazolin-4-one;dihydrobromide
CID 23651959
5,7-dichloro-3-ethyl-8-hydroxyquinazolin-4-one;N-pyridin-2-ylformamide
CID 143114070
3-[(E)-but-2-enyl]-5,7-dichloro-8-hydroxyquinazolin-4-one;hydrobromide
CID 162321860
8-hydroxy-3-(pyridin-2-ylmethyl)quinazolin-4-one
CID 59242565
5,7-dichloro-8-hydroxy-3-(1H-pyrazol-5-yl)quinazolin-4-one
CID 23651812
4,5,7-trichloroquinolin-8-ol
CID 10999408
5,7-dichloro-8-hydroxy-3-(1,3,5-trimethylpyrazol-4-yl)quinazolin-4-one
CID 59726041
1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
1-(2-pyridin-2-ylethyl)pyrimidin-2-one
CID 116618349
5,7-dichloro-8-hydroxy-3-(5-methoxy-2-pyridinyl)quinazolin-4-one
CID 11638623

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-8-hydroxy-3-(2-pyridin-2-ylethyl)quinazolin-4-one?
The IUPAC name of 5,7-dichloro-8-hydroxy-3-(2-pyridin-2-ylethyl)quinazolin-4-one (CID 11580840) is 5,7-dichloro-8-hydroxy-3-(2-pyridin-2-ylethyl)quinazolin-4-one.
What is the SMILES notation for 5,7-dichloro-8-hydroxy-3-(2-pyridin-2-ylethyl)quinazolin-4-one?
The canonical SMILES for 5,7-dichloro-8-hydroxy-3-(2-pyridin-2-ylethyl)quinazolin-4-one is O=c1c2c(Cl)cc(Cl)c(O)c2ncn1CCc1ccccn1.
What is the InChIKey of 5,7-dichloro-8-hydroxy-3-(2-pyridin-2-ylethyl)quinazolin-4-one?
The InChIKey is WECLGJIQRDGFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2/c16-10-7-11(17)14(21)13-12(10)15(22)20(8-19-13)6-4-9-3-1-2-5-18-9/h1-3,5,7-8,21H,4,6H2.
What are the key properties of 5,7-dichloro-8-hydroxy-3-(2-pyridin-2-ylethyl)quinazolin-4-one?
5,7-dichloro-8-hydroxy-3-(2-pyridin-2-ylethyl)quinazolin-4-one has a molecular weight of 336.18 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-8-hydroxy-3-(2-pyridin-2-ylethyl)quinazolin-4-one is sourced from PubChem (CID 11580840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).