6-methyl-3-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one

C21H20N4O2 — CID 56719204

IUPAC6-methyl-3-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN(C)Cc3nnc(-c4ccccc4)o3)cc2c1
InChIInChI=1S/C21H20N4O2/c1-14-8-9-18-16(10-14)11-17(20(26)22-18)12-25(2)13-19-23-24-21(27-19)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,22,26)
InChIKeyPXHSNNOFWHDZEL-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.52
Rot. Bonds5

About 6-methyl-3-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one

6-methyl-3-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 56719204) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 6-methyl-3-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-3-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one
PubChem CID56719204
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name6-methyl-3-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN(C)Cc3nnc(-c4ccccc4)o3)cc2c1
InChIInChI=1S/C21H20N4O2/c1-14-8-9-18-16(10-14)11-17(20(26)22-18)12-25(2)13-19-23-24-21(27-19)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,22,26)
InChIKeyPXHSNNOFWHDZEL-UHFFFAOYSA-N
XLogP3.52
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-3-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-quinolin-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

6-methyl-3-[[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 56757986
3-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 56703370
N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride
CID 171326059
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 110408526
N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 858516
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 4972680
5-methoxy-2-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-pyridin-4-one
CID 91830555
N,N-dimethyl-2-[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 34161725
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)acetamide
CID 950393
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)acetamide
CID 858519
3-(aminomethyl)-6-methyl-1H-quinolin-2-one
CID 6487618
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
CID 8802346

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-methyl-3-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one (CID 56719204) is 6-methyl-3-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-3-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-3-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(CN(C)Cc3nnc(-c4ccccc4)o3)cc2c1.
What is the InChIKey of 6-methyl-3-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is PXHSNNOFWHDZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14-8-9-18-16(10-14)11-17(20(26)22-18)12-25(2)13-19-23-24-21(27-19)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,22,26).
What are the key properties of 6-methyl-3-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one?
6-methyl-3-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 360.42 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 56719204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).