5,7-dichloro-8-hydroxy-3-[2-(1-hydroxyisoindol-2-yl)ethyl]quinazolin-4-one

C18H13Cl2N3O3 — CID 91258270

IUPAC5,7-dichloro-8-hydroxy-3-[2-(1-hydroxyisoindol-2-yl)ethyl]quinazolin-4-one
SMILESO=c1c2c(Cl)cc(Cl)c(O)c2ncn1CCn1cc2ccccc2c1O
InChIInChI=1S/C18H13Cl2N3O3/c19-12-7-13(20)16(24)15-14(12)18(26)23(9-21-15)6-5-22-8-10-3-1-2-4-11(10)17(22)25/h1-4,7-9,24-25H,5-6H2
InChIKeyQCNQZXVEVUZNKO-UHFFFAOYSA-N
MW390.23 g/mol
LogP3.77
Rot. Bonds3

About 5,7-dichloro-8-hydroxy-3-[2-(1-hydroxyisoindol-2-yl)ethyl]quinazolin-4-one

5,7-dichloro-8-hydroxy-3-[2-(1-hydroxyisoindol-2-yl)ethyl]quinazolin-4-one (PubChem CID 91258270) has the molecular formula C18H13Cl2N3O3 and a molecular weight of 390.23 g/mol. Its IUPAC name is 5,7-dichloro-8-hydroxy-3-[2-(1-hydroxyisoindol-2-yl)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name5,7-dichloro-8-hydroxy-3-[2-(1-hydroxyisoindol-2-yl)ethyl]quinazolin-4-one
PubChem CID91258270
Molecular FormulaC18H13Cl2N3O3
Molecular Weight390.23 g/mol
Exact Mass389.03
IUPAC Name5,7-dichloro-8-hydroxy-3-[2-(1-hydroxyisoindol-2-yl)ethyl]quinazolin-4-one
SMILESO=c1c2c(Cl)cc(Cl)c(O)c2ncn1CCn1cc2ccccc2c1O
InChIInChI=1S/C18H13Cl2N3O3/c19-12-7-13(20)16(24)15-14(12)18(26)23(9-21-15)6-5-22-8-10-3-1-2-4-11(10)17(22)25/h1-4,7-9,24-25H,5-6H2
InChIKeyQCNQZXVEVUZNKO-UHFFFAOYSA-N
XLogP3.77
TPSA80.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-8-hydroxy-3-[2-(1-hydroxyisoindol-2-yl)ethyl]quinazolin-4-one?
The IUPAC name of 5,7-dichloro-8-hydroxy-3-[2-(1-hydroxyisoindol-2-yl)ethyl]quinazolin-4-one (CID 91258270) is 5,7-dichloro-8-hydroxy-3-[2-(1-hydroxyisoindol-2-yl)ethyl]quinazolin-4-one.
What is the SMILES notation for 5,7-dichloro-8-hydroxy-3-[2-(1-hydroxyisoindol-2-yl)ethyl]quinazolin-4-one?
The canonical SMILES for 5,7-dichloro-8-hydroxy-3-[2-(1-hydroxyisoindol-2-yl)ethyl]quinazolin-4-one is O=c1c2c(Cl)cc(Cl)c(O)c2ncn1CCn1cc2ccccc2c1O.
What is the InChIKey of 5,7-dichloro-8-hydroxy-3-[2-(1-hydroxyisoindol-2-yl)ethyl]quinazolin-4-one?
The InChIKey is QCNQZXVEVUZNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O3/c19-12-7-13(20)16(24)15-14(12)18(26)23(9-21-15)6-5-22-8-10-3-1-2-4-11(10)17(22)25/h1-4,7-9,24-25H,5-6H2.
What are the key properties of 5,7-dichloro-8-hydroxy-3-[2-(1-hydroxyisoindol-2-yl)ethyl]quinazolin-4-one?
5,7-dichloro-8-hydroxy-3-[2-(1-hydroxyisoindol-2-yl)ethyl]quinazolin-4-one has a molecular weight of 390.23 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-8-hydroxy-3-[2-(1-hydroxyisoindol-2-yl)ethyl]quinazolin-4-one is sourced from PubChem (CID 91258270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).