3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-chloroquinazolin-4-one

C18H13ClN4O2 — CID 38873237

IUPAC3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-chloroquinazolin-4-one
SMILESO=c1c2cc(Cl)ccc2ncn1Cc1nc(Cc2ccccc2)no1
InChIInChI=1S/C18H13ClN4O2/c19-13-6-7-15-14(9-13)18(24)23(11-20-15)10-17-21-16(22-25-17)8-12-4-2-1-3-5-12/h1-7,9,11H,8,10H2
InChIKeyUNOJKTCMMBRTAA-UHFFFAOYSA-N
MW352.78 g/mol
LogP3.07
Rot. Bonds4

About 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-chloroquinazolin-4-one

3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-chloroquinazolin-4-one (PubChem CID 38873237) has the molecular formula C18H13ClN4O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-chloroquinazolin-4-one.

Molecular Properties

Compound Name3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-chloroquinazolin-4-one
PubChem CID38873237
Molecular FormulaC18H13ClN4O2
Molecular Weight352.78 g/mol
Exact Mass352.07
IUPAC Name3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-chloroquinazolin-4-one
SMILESO=c1c2cc(Cl)ccc2ncn1Cc1nc(Cc2ccccc2)no1
InChIInChI=1S/C18H13ClN4O2/c19-13-6-7-15-14(9-13)18(24)23(11-20-15)10-17-21-16(22-25-17)8-12-4-2-1-3-5-12/h1-7,9,11H,8,10H2
InChIKeyUNOJKTCMMBRTAA-UHFFFAOYSA-N
XLogP3.07
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-6-chloro-3-prop-2-enylquinazolin-4-one
CID 43075255
6-chloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
CID 38963586
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 38865781
3-[(6-chloro-4-oxoquinazolin-3-yl)methyl]benzonitrile
CID 8536688
3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-6-chloroquinazolin-4-one
CID 38963152
3-benzyl-5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 35101653
6-chloro-3-[(6-chloro-3-pyridinyl)methyl]quinazolin-4-one
CID 38963427
N-(2-benzylphenyl)-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 7488437
7-chloro-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
CID 17407844
3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-6-chloroquinazolin-4-one
CID 8005584
5-chloro-3-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-6-methylpyrimidin-4-one
CID 170571458
6-chloro-3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]quinazolin-4-one
CID 32867112

Frequently Asked Questions

What is the IUPAC name of 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-chloroquinazolin-4-one?
The IUPAC name of 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-chloroquinazolin-4-one (CID 38873237) is 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-chloroquinazolin-4-one.
What is the SMILES notation for 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-chloroquinazolin-4-one?
The canonical SMILES for 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-chloroquinazolin-4-one is O=c1c2cc(Cl)ccc2ncn1Cc1nc(Cc2ccccc2)no1.
What is the InChIKey of 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-chloroquinazolin-4-one?
The InChIKey is UNOJKTCMMBRTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2/c19-13-6-7-15-14(9-13)18(24)23(11-20-15)10-17-21-16(22-25-17)8-12-4-2-1-3-5-12/h1-7,9,11H,8,10H2.
What are the key properties of 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-chloroquinazolin-4-one?
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-chloroquinazolin-4-one has a molecular weight of 352.78 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-chloroquinazolin-4-one is sourced from PubChem (CID 38873237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).