2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide

C23H26N2O2 — CID 100745155

IUPAC2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCc1cc(C)c2c(=O)ccn(CC(=O)N[C@H](C)CCc3ccccc3)c2c1
InChIInChI=1S/C23H26N2O2/c1-16-13-17(2)23-20(14-16)25(12-11-21(23)26)15-22(27)24-18(3)9-10-19-7-5-4-6-8-19/h4-8,11-14,18H,9-10,15H2,1-3H3,(H,24,27)/t18-/m1/s1
InChIKeyOJEOCIHLMMFGPX-GOSISDBHSA-N
MW362.47 g/mol
LogP3.76
Rot. Bonds6

About 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide

2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide (PubChem CID 100745155) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
PubChem CID100745155
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCc1cc(C)c2c(=O)ccn(CC(=O)N[C@H](C)CCc3ccccc3)c2c1
InChIInChI=1S/C23H26N2O2/c1-16-13-17(2)23-20(14-16)25(12-11-21(23)26)15-22(27)24-18(3)9-10-19-7-5-4-6-8-19/h4-8,11-14,18H,9-10,15H2,1-3H3,(H,24,27)/t18-/m1/s1
InChIKeyOJEOCIHLMMFGPX-GOSISDBHSA-N
XLogP3.76
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide 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

N-tert-butyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide
CID 100744049
N-benzyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-methylacetamide
CID 100744798
2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(4-fluorophenyl)acetamide
CID 100744381
2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 100745016
N-cycloheptyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide
CID 100744084
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
N-(1,3-benzodioxol-5-yl)-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide
CID 100744676
N-(4-phenylbutan-2-yl)-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768186
2-(11,13-dimethyl-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 25347809
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2708425
2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 22514476

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide (CID 100745155) is 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide is Cc1cc(C)c2c(=O)ccn(CC(=O)N[C@H](C)CCc3ccccc3)c2c1.
What is the InChIKey of 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The InChIKey is OJEOCIHLMMFGPX-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16-13-17(2)23-20(14-16)25(12-11-21(23)26)15-22(27)24-18(3)9-10-19-7-5-4-6-8-19/h4-8,11-14,18H,9-10,15H2,1-3H3,(H,24,27)/t18-/m1/s1.
What are the key properties of 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide?
2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide has a molecular weight of 362.47 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-4-oxoquinolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 100745155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).