1-methyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide

C22H24N2O2 — CID 30463969

IUPAC1-methyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide
SMILESCc1cc(C)c([C@H](C)NC(=O)c2cn(C)c3ccccc3c2=O)cc1C
InChIInChI=1S/C22H24N2O2/c1-13-10-15(3)18(11-14(13)2)16(4)23-22(26)19-12-24(5)20-9-7-6-8-17(20)21(19)25/h6-12,16H,1-5H3,(H,23,26)/t16-/m0/s1
InChIKeyGMWRRVXCSFIMIG-INIZCTEOSA-N
MW348.45 g/mol
LogP3.95
Rot. Bonds3

About 1-methyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide

1-methyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide (PubChem CID 30463969) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-methyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name1-methyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide
PubChem CID30463969
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-methyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide
SMILESCc1cc(C)c([C@H](C)NC(=O)c2cn(C)c3ccccc3c2=O)cc1C
InChIInChI=1S/C22H24N2O2/c1-13-10-15(3)18(11-14(13)2)16(4)23-22(26)19-12-24(5)20-9-7-6-8-17(20)21(19)25/h6-12,16H,1-5H3,(H,23,26)/t16-/m0/s1
InChIKeyGMWRRVXCSFIMIG-INIZCTEOSA-N
XLogP3.95
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide 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-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 30131803
N-[(1S)-1-(2-bromophenyl)ethyl]-1-methylindole-3-carboxamide
CID 9152128
6-chloro-1-ethyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide
CID 30463999
6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide
CID 30133856
methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate
CID 47337364
N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 9181387
6-hydroxy-1,7-dimethyl-4-oxo-N-propan-2-ylquinoline-3-carboxamide
CID 118460153
methyl (2S)-3-methyl-2-[(1-methylindole-3-carbonyl)amino]butanoate
CID 51681664
1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]indole-3-carboxamide
CID 103741487
methyl 2-(1-methylindol-3-yl)propanoate
CID 11117483
N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]furan-2-carboxamide
CID 30402622
4-phenyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 133217691

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide?
The IUPAC name of 1-methyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide (CID 30463969) is 1-methyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide.
What is the SMILES notation for 1-methyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide?
The canonical SMILES for 1-methyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide is Cc1cc(C)c([C@H](C)NC(=O)c2cn(C)c3ccccc3c2=O)cc1C.
What is the InChIKey of 1-methyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide?
The InChIKey is GMWRRVXCSFIMIG-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-13-10-15(3)18(11-14(13)2)16(4)23-22(26)19-12-24(5)20-9-7-6-8-17(20)21(19)25/h6-12,16H,1-5H3,(H,23,26)/t16-/m0/s1.
What are the key properties of 1-methyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide?
1-methyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide is sourced from PubChem (CID 30463969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).