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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Related Compounds

6,8-dichloro-3-[(4-propan-2-ylphenyl)methyl]quinazolin-4-one
CID 7628762
6,8-dichloro-3-[(1-propyltetrazol-5-yl)methyl]quinazolin-4-one
CID 27912192
6,8-dichloro-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]quinazolin-4-one
CID 30759999
6,8-dichloro-3-[2-(4-ethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 7875266
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7875332
propan-2-yl 2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetate
CID 7628751
2-(6,8-dichloro-4-oxoquinazolin-3-yl)-N,N-di(propan-2-yl)acetamide
CID 18195110
6,8-dichloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one
CID 17459984
3-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)ethyl]-1,3-benzoxazol-2-one
CID 33270453
6,8-dichloro-3-[[(2S)-1,4-dioxan-2-yl]methyl]quinazolin-4-one
CID 124885365
6,8-dichloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
CID 38858587
6,8-dichloro-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]quinazolin-4-one
CID 46674983

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).