N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)-N-propylacetamide

C23H22ClN5O3 — CID 55450775

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)-N-propylacetamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cn1cnc2c(C)cccc2c1=O
InChIInChI=1S/C23H22ClN5O3/c1-3-11-28(12-19-26-27-22(32-19)16-8-4-5-10-18(16)24)20(30)13-29-14-25-21-15(2)7-6-9-17(21)23(29)31/h4-10,14H,3,11-13H2,1-2H3
InChIKeyXWACTKZYWAWIAT-UHFFFAOYSA-N
MW451.91 g/mol
LogP3.85
Rot. Bonds7

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)-N-propylacetamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)-N-propylacetamide (PubChem CID 55450775) has the molecular formula C23H22ClN5O3 and a molecular weight of 451.91 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)-N-propylacetamide
PubChem CID55450775
Molecular FormulaC23H22ClN5O3
Molecular Weight451.91 g/mol
Exact Mass451.14
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)-N-propylacetamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cn1cnc2c(C)cccc2c1=O
InChIInChI=1S/C23H22ClN5O3/c1-3-11-28(12-19-26-27-22(32-19)16-8-4-5-10-18(16)24)20(30)13-29-14-25-21-15(2)7-6-9-17(21)23(29)31/h4-10,14H,3,11-13H2,1-2H3
InChIKeyXWACTKZYWAWIAT-UHFFFAOYSA-N
XLogP3.85
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)-N-propylacetamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)-N-propylacetamide (CID 55450775) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)-N-propylacetamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)-N-propylacetamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)-N-propylacetamide is CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cn1cnc2c(C)cccc2c1=O.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)-N-propylacetamide?
The InChIKey is XWACTKZYWAWIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O3/c1-3-11-28(12-19-26-27-22(32-19)16-8-4-5-10-18(16)24)20(30)13-29-14-25-21-15(2)7-6-9-17(21)23(29)31/h4-10,14H,3,11-13H2,1-2H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)-N-propylacetamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)-N-propylacetamide has a molecular weight of 451.91 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)-N-propylacetamide is sourced from PubChem (CID 55450775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).