6,8-dichloro-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]quinazolin-4-one

C14H11Cl2N3O2 — CID 71997097

IUPAC6,8-dichloro-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]quinazolin-4-one
SMILESCCc1cnc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)o1
InChIInChI=1S/C14H11Cl2N3O2/c1-2-9-5-17-12(21-9)6-19-7-18-13-10(14(19)20)3-8(15)4-11(13)16/h3-5,7H,2,6H2,1H3
InChIKeyFHLQUSPXXPYYTH-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.30
Rot. Bonds3

About 6,8-dichloro-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]quinazolin-4-one

6,8-dichloro-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]quinazolin-4-one (PubChem CID 71997097) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is 6,8-dichloro-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6,8-dichloro-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]quinazolin-4-one
PubChem CID71997097
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name6,8-dichloro-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]quinazolin-4-one
SMILESCCc1cnc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)o1
InChIInChI=1S/C14H11Cl2N3O2/c1-2-9-5-17-12(21-9)6-19-7-18-13-10(14(19)20)3-8(15)4-11(13)16/h3-5,7H,2,6H2,1H3
InChIKeyFHLQUSPXXPYYTH-UHFFFAOYSA-N
XLogP3.30
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]quinazolin-4-one?
The IUPAC name of 6,8-dichloro-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]quinazolin-4-one (CID 71997097) is 6,8-dichloro-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 6,8-dichloro-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]quinazolin-4-one?
The canonical SMILES for 6,8-dichloro-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]quinazolin-4-one is CCc1cnc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)o1.
What is the InChIKey of 6,8-dichloro-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]quinazolin-4-one?
The InChIKey is FHLQUSPXXPYYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c1-2-9-5-17-12(21-9)6-19-7-18-13-10(14(19)20)3-8(15)4-11(13)16/h3-5,7H,2,6H2,1H3.
What are the key properties of 6,8-dichloro-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]quinazolin-4-one?
6,8-dichloro-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]quinazolin-4-one has a molecular weight of 324.17 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 71997097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).