6-chloro-3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one

C17H10Cl2N4O2 — CID 27271213

IUPAC6-chloro-3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one
SMILESO=c1c2cc(Cl)ccc2ncn1Cc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C17H10Cl2N4O2/c18-10-5-6-14-12(7-10)17(24)23(9-20-14)8-15-21-16(22-25-15)11-3-1-2-4-13(11)19/h1-7,9H,8H2
InChIKeyQHTKSFQDLIUSOK-UHFFFAOYSA-N
MW373.20 g/mol
LogP3.80
Rot. Bonds3

About 6-chloro-3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one

6-chloro-3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one (PubChem CID 27271213) has the molecular formula C17H10Cl2N4O2 and a molecular weight of 373.20 g/mol. Its IUPAC name is 6-chloro-3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one
PubChem CID27271213
Molecular FormulaC17H10Cl2N4O2
Molecular Weight373.20 g/mol
Exact Mass372.02
IUPAC Name6-chloro-3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one
SMILESO=c1c2cc(Cl)ccc2ncn1Cc1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C17H10Cl2N4O2/c18-10-5-6-14-12(7-10)17(24)23(9-20-14)8-15-21-16(22-25-15)11-3-1-2-4-13(11)19/h1-7,9H,8H2
InChIKeyQHTKSFQDLIUSOK-UHFFFAOYSA-N
XLogP3.80
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.20
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one?
The IUPAC name of 6-chloro-3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one (CID 27271213) is 6-chloro-3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 6-chloro-3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one?
The canonical SMILES for 6-chloro-3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one is O=c1c2cc(Cl)ccc2ncn1Cc1nc(-c2ccccc2Cl)no1.
What is the InChIKey of 6-chloro-3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one?
The InChIKey is QHTKSFQDLIUSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N4O2/c18-10-5-6-14-12(7-10)17(24)23(9-20-14)8-15-21-16(22-25-15)11-3-1-2-4-13(11)19/h1-7,9H,8H2.
What are the key properties of 6-chloro-3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one?
6-chloro-3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one has a molecular weight of 373.20 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 27271213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).