7-chloro-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]quinoxalin-2-one

C19H15ClN4O2 — CID 24851337

IUPAC7-chloro-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]quinoxalin-2-one
SMILESCc1ccc(-c2nnc(Cn3c(=O)c(C)nc4ccc(Cl)cc43)o2)cc1
InChIInChI=1S/C19H15ClN4O2/c1-11-3-5-13(6-4-11)18-23-22-17(26-18)10-24-16-9-14(20)7-8-15(16)21-12(2)19(24)25/h3-9H,10H2,1-2H3
InChIKeyPBZJGTSDAQCUCF-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.77
Rot. Bonds3

About 7-chloro-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]quinoxalin-2-one

7-chloro-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]quinoxalin-2-one (PubChem CID 24851337) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 7-chloro-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]quinoxalin-2-one.

Molecular Properties

Compound Name7-chloro-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]quinoxalin-2-one
PubChem CID24851337
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name7-chloro-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]quinoxalin-2-one
SMILESCc1ccc(-c2nnc(Cn3c(=O)c(C)nc4ccc(Cl)cc43)o2)cc1
InChIInChI=1S/C19H15ClN4O2/c1-11-3-5-13(6-4-11)18-23-22-17(26-18)10-24-16-9-14(20)7-8-15(16)21-12(2)19(24)25/h3-9H,10H2,1-2H3
InChIKeyPBZJGTSDAQCUCF-UHFFFAOYSA-N
XLogP3.77
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-chloro-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]-7-chloro-3-methylquinoxalin-2-one
CID 24851143
3-methyl-1-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]quinoxalin-2-one
CID 24851274
6-chloro-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
CID 106375087
2-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 6489057
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]phthalazin-1-one
CID 9369120
3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]quinazolin-4-one
CID 9369350
2-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 8591039
3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(3,4,5-trimethoxybenzoyl)quinazolin-4-one
CID 164628596
[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 2996247
3-[(2-chlorophenyl)methyl]-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]quinazolin-4-one
CID 38827455
N-(5-chloro-2-methylphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 51229815
1-(4-chlorophenyl)-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]methanesulfonamide
CID 110321497

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]quinoxalin-2-one?
The IUPAC name of 7-chloro-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]quinoxalin-2-one (CID 24851337) is 7-chloro-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]quinoxalin-2-one.
What is the SMILES notation for 7-chloro-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]quinoxalin-2-one?
The canonical SMILES for 7-chloro-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]quinoxalin-2-one is Cc1ccc(-c2nnc(Cn3c(=O)c(C)nc4ccc(Cl)cc43)o2)cc1.
What is the InChIKey of 7-chloro-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]quinoxalin-2-one?
The InChIKey is PBZJGTSDAQCUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-11-3-5-13(6-4-11)18-23-22-17(26-18)10-24-16-9-14(20)7-8-15(16)21-12(2)19(24)25/h3-9H,10H2,1-2H3.
What are the key properties of 7-chloro-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]quinoxalin-2-one?
7-chloro-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]quinoxalin-2-one has a molecular weight of 366.81 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]quinoxalin-2-one is sourced from PubChem (CID 24851337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).