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

C17H11ClN4O2 — CID 9369350

IUPAC3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1Cc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H11ClN4O2/c18-12-7-5-11(6-8-12)16-21-20-15(24-16)9-22-10-19-14-4-2-1-3-13(14)17(22)23/h1-8,10H,9H2
InChIKeyPKPGNINBEZNQQD-UHFFFAOYSA-N
MW338.75 g/mol
LogP3.15
Rot. Bonds3

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

3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one (PubChem CID 9369350) has the molecular formula C17H11ClN4O2 and a molecular weight of 338.75 g/mol. Its IUPAC name is 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one
PubChem CID9369350
Molecular FormulaC17H11ClN4O2
Molecular Weight338.75 g/mol
Exact Mass338.06
IUPAC Name3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1Cc1nnc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H11ClN4O2/c18-12-7-5-11(6-8-12)16-21-20-15(24-16)9-22-10-19-14-4-2-1-3-13(14)17(22)23/h1-8,10H,9H2
InChIKeyPKPGNINBEZNQQD-UHFFFAOYSA-N
XLogP3.15
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]phthalazin-1-one
CID 9369120
3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 38827444
3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
3-[4-[[5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]butyl]quinazolin-4-one
CID 178076913
3-[(2-amino-4-chlorophenyl)methyl]quinazolin-4-one
CID 62101578
3-(3-chlorophenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinazolin-4-one
CID 29252167
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-3-prop-2-enylquinazolin-4-one
CID 9407358
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one
CID 4814680
[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-oxoquinazolin-3-yl)acetate
CID 9405582
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]quinazolin-4-one
CID 18282371
6-ethyl-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 18102690

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one?
The IUPAC name of 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one (CID 9369350) is 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one?
The canonical SMILES for 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one is O=c1c2ccccc2ncn1Cc1nnc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one?
The InChIKey is PKPGNINBEZNQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O2/c18-12-7-5-11(6-8-12)16-21-20-15(24-16)9-22-10-19-14-4-2-1-3-13(14)17(22)23/h1-8,10H,9H2.
What are the key properties of 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one?
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one has a molecular weight of 338.75 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 9369350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).