6-chloro-2-(5-chloro-2-propan-2-yloxyphenyl)-3H-quinazolin-4-one

C17H14Cl2N2O2 — CID 136638285

IUPAC6-chloro-2-(5-chloro-2-propan-2-yloxyphenyl)-3H-quinazolin-4-one
SMILESCC(C)Oc1ccc(Cl)cc1-c1nc2ccc(Cl)cc2c(=O)[nH]1
InChIInChI=1S/C17H14Cl2N2O2/c1-9(2)23-15-6-4-11(19)8-13(15)16-20-14-5-3-10(18)7-12(14)17(22)21-16/h3-9H,1-2H3,(H,20,21,22)
InChIKeyKDZPSODCBWJJRT-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.68
Rot. Bonds3

About 6-chloro-2-(5-chloro-2-propan-2-yloxyphenyl)-3H-quinazolin-4-one

6-chloro-2-(5-chloro-2-propan-2-yloxyphenyl)-3H-quinazolin-4-one (PubChem CID 136638285) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is 6-chloro-2-(5-chloro-2-propan-2-yloxyphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-(5-chloro-2-propan-2-yloxyphenyl)-3H-quinazolin-4-one
PubChem CID136638285
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name6-chloro-2-(5-chloro-2-propan-2-yloxyphenyl)-3H-quinazolin-4-one
SMILESCC(C)Oc1ccc(Cl)cc1-c1nc2ccc(Cl)cc2c(=O)[nH]1
InChIInChI=1S/C17H14Cl2N2O2/c1-9(2)23-15-6-4-11(19)8-13(15)16-20-14-5-3-10(18)7-12(14)17(22)21-16/h3-9H,1-2H3,(H,20,21,22)
InChIKeyKDZPSODCBWJJRT-UHFFFAOYSA-N
XLogP4.68
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(5-chloro-2-propan-2-yloxyphenyl)-3H-quinazolin-4-one?
The IUPAC name of 6-chloro-2-(5-chloro-2-propan-2-yloxyphenyl)-3H-quinazolin-4-one (CID 136638285) is 6-chloro-2-(5-chloro-2-propan-2-yloxyphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-(5-chloro-2-propan-2-yloxyphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 6-chloro-2-(5-chloro-2-propan-2-yloxyphenyl)-3H-quinazolin-4-one is CC(C)Oc1ccc(Cl)cc1-c1nc2ccc(Cl)cc2c(=O)[nH]1.
What is the InChIKey of 6-chloro-2-(5-chloro-2-propan-2-yloxyphenyl)-3H-quinazolin-4-one?
The InChIKey is KDZPSODCBWJJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-9(2)23-15-6-4-11(19)8-13(15)16-20-14-5-3-10(18)7-12(14)17(22)21-16/h3-9H,1-2H3,(H,20,21,22).
What are the key properties of 6-chloro-2-(5-chloro-2-propan-2-yloxyphenyl)-3H-quinazolin-4-one?
6-chloro-2-(5-chloro-2-propan-2-yloxyphenyl)-3H-quinazolin-4-one has a molecular weight of 349.22 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(5-chloro-2-propan-2-yloxyphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 136638285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).