N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzamide

C21H24N2O2 — CID 95056727

IUPACN-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N[C@@H](C)C(=O)N2CCCc3ccccc32)c(C)c1
InChIInChI=1S/C21H24N2O2/c1-14-10-11-18(15(2)13-14)20(24)22-16(3)21(25)23-12-6-8-17-7-4-5-9-19(17)23/h4-5,7,9-11,13,16H,6,8,12H2,1-3H3,(H,22,24)/t16-/m0/s1
InChIKeyJUSMVLVHYXOBAZ-INIZCTEOSA-N
MW336.44 g/mol
LogP3.40
Rot. Bonds3

About N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzamide

N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzamide (PubChem CID 95056727) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzamide
PubChem CID95056727
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N[C@@H](C)C(=O)N2CCCc3ccccc32)c(C)c1
InChIInChI=1S/C21H24N2O2/c1-14-10-11-18(15(2)13-14)20(24)22-16(3)21(25)23-12-6-8-17-7-4-5-9-19(17)23/h4-5,7,9-11,13,16H,6,8,12H2,1-3H3,(H,22,24)/t16-/m0/s1
InChIKeyJUSMVLVHYXOBAZ-INIZCTEOSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzamide with MolForge

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Related Compounds

N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2-methylbenzamide
CID 53037121
[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]carbamic acid
CID 70362593
4-bromo-N-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide
CID 53037123
N-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-propan-2-ylbenzamide
CID 95091917
4-chloro-N-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide
CID 112762141
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]urea
CID 47097542
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,4-dimethylphenyl)urea
CID 92881495
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,4-dimethylphenoxy)propan-1-one
CID 132650377
N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16967925
[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] (2R)-2-[(3-methylbenzoyl)amino]propanoate
CID 25482566
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3271608
2-(methylamino)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 62638376

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzamide?
The IUPAC name of N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzamide (CID 95056727) is N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)N[C@@H](C)C(=O)N2CCCc3ccccc32)c(C)c1.
What is the InChIKey of N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzamide?
The InChIKey is JUSMVLVHYXOBAZ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14-10-11-18(15(2)13-14)20(24)22-16(3)21(25)23-12-6-8-17-7-4-5-9-19(17)23/h4-5,7,9-11,13,16H,6,8,12H2,1-3H3,(H,22,24)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzamide?
N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzamide has a molecular weight of 336.44 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-2,4-dimethylbenzamide is sourced from PubChem (CID 95056727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).