N-(2-amino-2-oxoethyl)-3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]benzamide

C22H22N4O3 — CID 36561953

IUPACN-(2-amino-2-oxoethyl)-3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]benzamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)Nc1cccc(C(=O)NCC(N)=O)c1
InChIInChI=1S/C22H22N4O3/c1-13-17-8-3-4-9-19(17)25-14(2)18(13)11-21(28)26-16-7-5-6-15(10-16)22(29)24-12-20(23)27/h3-10H,11-12H2,1-2H3,(H2,23,27)(H,24,29)(H,26,28)
InChIKeyYPNIWWOVHBBIIN-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.25
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]benzamide

N-(2-amino-2-oxoethyl)-3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]benzamide (PubChem CID 36561953) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]benzamide
PubChem CID36561953
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-(2-amino-2-oxoethyl)-3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]benzamide
SMILESCc1nc2ccccc2c(C)c1CC(=O)Nc1cccc(C(=O)NCC(N)=O)c1
InChIInChI=1S/C22H22N4O3/c1-13-17-8-3-4-9-19(17)25-14(2)18(13)11-21(28)26-16-7-5-6-15(10-16)22(29)24-12-20(23)27/h3-10H,11-12H2,1-2H3,(H2,23,27)(H,24,29)(H,26,28)
InChIKeyYPNIWWOVHBBIIN-UHFFFAOYSA-N
XLogP2.25
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 55532542
2-(2,4-dimethylquinolin-3-yl)-N-(3-ethynylphenyl)acetamide
CID 39230533
2-(2,4-dimethylquinolin-3-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 8852353
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 26364618
2-(2,4-dimethylquinolin-3-yl)-N-pyridin-3-ylacetamide
CID 32789123
2-(2,4-dimethylquinolin-3-yl)-N-(4-iodophenyl)acetamide
CID 8886793
2-(2,4-dimethylquinolin-3-yl)-N-quinolin-3-ylacetamide
CID 18146501
3-acetamido-N-(2-amino-2-oxoethyl)benzamide
CID 47116875
N-(2-amino-2-oxoethyl)-3-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 46442581
N-[3-(3-cyanopropoxy)phenyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 52698958
(3E)-N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxamide
CID 167951550
N-(2-amino-2-oxoethyl)-3-(benzylcarbamoylamino)benzamide
CID 141029979

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]benzamide (CID 36561953) is N-(2-amino-2-oxoethyl)-3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]benzamide is Cc1nc2ccccc2c(C)c1CC(=O)Nc1cccc(C(=O)NCC(N)=O)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]benzamide?
The InChIKey is YPNIWWOVHBBIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-13-17-8-3-4-9-19(17)25-14(2)18(13)11-21(28)26-16-7-5-6-15(10-16)22(29)24-12-20(23)27/h3-10H,11-12H2,1-2H3,(H2,23,27)(H,24,29)(H,26,28).
What are the key properties of N-(2-amino-2-oxoethyl)-3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]benzamide?
N-(2-amino-2-oxoethyl)-3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]benzamide has a molecular weight of 390.44 g/mol, XLogP of 2.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-[[2-(2,4-dimethylquinolin-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 36561953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).