N-[1-[4-[butyl(ethyl)amino]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide

C32H39N3O2 — CID 91202212

IUPACN-[1-[4-[butyl(ethyl)amino]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
SMILESCCCCN(CC)c1ccc(C(=O)N2c3ccccc3C(N(C(=O)CC)c3ccccc3)CC2C)cc1
InChIInChI=1S/C32H39N3O2/c1-5-8-22-33(7-3)26-20-18-25(19-21-26)32(37)34-24(4)23-30(28-16-12-13-17-29(28)34)35(31(36)6-2)27-14-10-9-11-15-27/h9-21,24,30H,5-8,22-23H2,1-4H3
InChIKeyDWEYXLGZFLIAEX-UHFFFAOYSA-N
MW497.68 g/mol
LogP7.24
Rot. Bonds9

About N-[1-[4-[butyl(ethyl)amino]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide

N-[1-[4-[butyl(ethyl)amino]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide (PubChem CID 91202212) has the molecular formula C32H39N3O2 and a molecular weight of 497.68 g/mol. Its IUPAC name is N-[1-[4-[butyl(ethyl)amino]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[4-[butyl(ethyl)amino]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
PubChem CID91202212
Molecular FormulaC32H39N3O2
Molecular Weight497.68 g/mol
Exact Mass497.30
IUPAC NameN-[1-[4-[butyl(ethyl)amino]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
SMILESCCCCN(CC)c1ccc(C(=O)N2c3ccccc3C(N(C(=O)CC)c3ccccc3)CC2C)cc1
InChIInChI=1S/C32H39N3O2/c1-5-8-22-33(7-3)26-20-18-25(19-21-26)32(37)34-24(4)23-30(28-16-12-13-17-29(28)34)35(31(36)6-2)27-14-10-9-11-15-27/h9-21,24,30H,5-8,22-23H2,1-4H3
InChIKeyDWEYXLGZFLIAEX-UHFFFAOYSA-N
XLogP7.24
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.68
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R,4S)-1-(4-bromobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 21093039
N-[(2R,4S)-1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 21093030
N-[(2S,4R)-1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 86592013
2-[4-[(2R,4S)-2-methyl-4-(N-propanoylanilino)-3,4-dihydro-2H-quinoline-1-carbonyl]phenoxy]acetic acid
CID 68918397
N-(4-chlorophenyl)-N-[(4S)-1-(4-hydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide
CID 69466487
N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)propanamide
CID 58859828
3-(N-[(2S,4R)-1-benzoyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]anilino)-3-oxopropanoic acid
CID 69427262
N-[2-methyl-1-(4-pyrazol-1-ylbenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 58859819
N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide
CID 3103979
N-[(2S,4R)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 1100225
N-[(2S,4R)-1-[4-(1-acetylpiperidin-4-yl)benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 58859837
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpentanamide
CID 6581067

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[butyl(ethyl)amino]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-[4-[butyl(ethyl)amino]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide (CID 91202212) is N-[1-[4-[butyl(ethyl)amino]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-[4-[butyl(ethyl)amino]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-[4-[butyl(ethyl)amino]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide is CCCCN(CC)c1ccc(C(=O)N2c3ccccc3C(N(C(=O)CC)c3ccccc3)CC2C)cc1.
What is the InChIKey of N-[1-[4-[butyl(ethyl)amino]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The InChIKey is DWEYXLGZFLIAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O2/c1-5-8-22-33(7-3)26-20-18-25(19-21-26)32(37)34-24(4)23-30(28-16-12-13-17-29(28)34)35(31(36)6-2)27-14-10-9-11-15-27/h9-21,24,30H,5-8,22-23H2,1-4H3.
What are the key properties of N-[1-[4-[butyl(ethyl)amino]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
N-[1-[4-[butyl(ethyl)amino]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide has a molecular weight of 497.68 g/mol, XLogP of 7.24, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[butyl(ethyl)amino]benzoyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 91202212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).