N,N-dimethyl-3-(1,2,6-trimethyl-4-oxoquinolin-3-yl)benzamide

C21H22N2O2 — CID 50917700

IUPACN,N-dimethyl-3-(1,2,6-trimethyl-4-oxoquinolin-3-yl)benzamide
SMILESCc1ccc2c(c1)c(=O)c(-c1cccc(C(=O)N(C)C)c1)c(C)n2C
InChIInChI=1S/C21H22N2O2/c1-13-9-10-18-17(11-13)20(24)19(14(2)23(18)5)15-7-6-8-16(12-15)21(25)22(3)4/h6-12H,1-5H3
InChIKeyHOCJPUSFFWJRBZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.52
Rot. Bonds2

About N,N-dimethyl-3-(1,2,6-trimethyl-4-oxoquinolin-3-yl)benzamide

N,N-dimethyl-3-(1,2,6-trimethyl-4-oxoquinolin-3-yl)benzamide (PubChem CID 50917700) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N,N-dimethyl-3-(1,2,6-trimethyl-4-oxoquinolin-3-yl)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(1,2,6-trimethyl-4-oxoquinolin-3-yl)benzamide
PubChem CID50917700
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN,N-dimethyl-3-(1,2,6-trimethyl-4-oxoquinolin-3-yl)benzamide
SMILESCc1ccc2c(c1)c(=O)c(-c1cccc(C(=O)N(C)C)c1)c(C)n2C
InChIInChI=1S/C21H22N2O2/c1-13-9-10-18-17(11-13)20(24)19(14(2)23(18)5)15-7-6-8-16(12-15)21(25)22(3)4/h6-12H,1-5H3
InChIKeyHOCJPUSFFWJRBZ-UHFFFAOYSA-N
XLogP3.52
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4'-Bis(dimethylamino)benzophenone
CID 7031
4,4'-Bis(diethylamino)benzophenone
CID 66663
3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one
CID 63382
N-Methylacridone
CID 69751
1-Methyl-4-quinolone
CID 6748
4-Dimethylaminochalcone
CID 5377268
2-heptyl-4-hydroxyquinoline N-oxide
CID 1561
2-Methyl-acridone
CID 419818
2-Nonyl-4-hydroxyquinoline N-oxide
CID 130804
1H-Pyrrole-2,5-dione, 1-(2-benzoylphenyl)-
CID 2731237
1-Methyl-2-phenyl-4(1H)-quinolinone
CID 776143
Benzamide, N-(2-benzoylphenyl)-
CID 207331

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(1,2,6-trimethyl-4-oxoquinolin-3-yl)benzamide?
The IUPAC name of N,N-dimethyl-3-(1,2,6-trimethyl-4-oxoquinolin-3-yl)benzamide (CID 50917700) is N,N-dimethyl-3-(1,2,6-trimethyl-4-oxoquinolin-3-yl)benzamide.
What is the SMILES notation for N,N-dimethyl-3-(1,2,6-trimethyl-4-oxoquinolin-3-yl)benzamide?
The canonical SMILES for N,N-dimethyl-3-(1,2,6-trimethyl-4-oxoquinolin-3-yl)benzamide is Cc1ccc2c(c1)c(=O)c(-c1cccc(C(=O)N(C)C)c1)c(C)n2C.
What is the InChIKey of N,N-dimethyl-3-(1,2,6-trimethyl-4-oxoquinolin-3-yl)benzamide?
The InChIKey is HOCJPUSFFWJRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-13-9-10-18-17(11-13)20(24)19(14(2)23(18)5)15-7-6-8-16(12-15)21(25)22(3)4/h6-12H,1-5H3.
What are the key properties of N,N-dimethyl-3-(1,2,6-trimethyl-4-oxoquinolin-3-yl)benzamide?
N,N-dimethyl-3-(1,2,6-trimethyl-4-oxoquinolin-3-yl)benzamide has a molecular weight of 334.42 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(1,2,6-trimethyl-4-oxoquinolin-3-yl)benzamide is sourced from PubChem (CID 50917700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).