N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide

C21H20N4O3 — CID 46980764

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c2ccccc12
InChIInChI=1S/C21H20N4O3/c1-13-10-20(27)25(16-7-5-4-6-15(13)16)12-19(26)22-14-8-9-17-18(11-14)24(3)21(28)23(17)2/h4-11H,12H2,1-3H3,(H,22,26)
InChIKeyLDWAKBSCXNMJJV-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.14
Rot. Bonds3

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide (PubChem CID 46980764) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
PubChem CID46980764
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
SMILESCc1cc(=O)n(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c2ccccc12
InChIInChI=1S/C21H20N4O3/c1-13-10-20(27)25(16-7-5-4-6-15(13)16)12-19(26)22-14-8-9-17-18(11-14)24(3)21(28)23(17)2/h4-11H,12H2,1-3H3,(H,22,26)
InChIKeyLDWAKBSCXNMJJV-UHFFFAOYSA-N
XLogP2.14
TPSA78.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39767925
3-(4-methyl-2-oxoquinolin-1-yl)-N-phenylpropanamide
CID 39763922
N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39767924
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methyl-2-oxoquinoline-4-carboxamide
CID 50814276
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(2-methylphenyl)propanamide
CID 110778945
N-(2,3-dichlorophenyl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39767922
methyl 2-(4-methyl-2-oxoquinolin-1-yl)acetate
CID 39767914
N-(5-chloro-2-hydroxyphenyl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39767959
methyl (E)-4-[[2-(4-methyl-2-oxoquinolin-1-yl)acetyl]amino]but-2-enoate
CID 118667820
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 3432115
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenylphenyl)acetamide
CID 24609349
4-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinolin-2-one
CID 39768041

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide (CID 46980764) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide is Cc1cc(=O)n(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c2ccccc12.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide?
The InChIKey is LDWAKBSCXNMJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-13-10-20(27)25(16-7-5-4-6-15(13)16)12-19(26)22-14-8-9-17-18(11-14)24(3)21(28)23(17)2/h4-11H,12H2,1-3H3,(H,22,26).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide has a molecular weight of 376.42 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 46980764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).