N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide

C18H23N3O — CID 40821789

IUPACN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
SMILESC[C@H]1CCc2ccccc2N1CC(=O)N[C@@](C)(C#N)C1CC1
InChIInChI=1S/C18H23N3O/c1-13-7-8-14-5-3-4-6-16(14)21(13)11-17(22)20-18(2,12-19)15-9-10-15/h3-6,13,15H,7-11H2,1-2H3,(H,20,22)/t13-,18-/m0/s1
InChIKeyDHKHZVXTZANTDH-UGSOOPFHSA-N
MW297.40 g/mol
LogP2.64
Rot. Bonds4

About N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide

N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide (PubChem CID 40821789) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
PubChem CID40821789
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
SMILESC[C@H]1CCc2ccccc2N1CC(=O)N[C@@](C)(C#N)C1CC1
InChIInChI=1S/C18H23N3O/c1-13-7-8-14-5-3-4-6-16(14)21(13)11-17(22)20-18(2,12-19)15-9-10-15/h3-6,13,15H,7-11H2,1-2H3,(H,20,22)/t13-,18-/m0/s1
InChIKeyDHKHZVXTZANTDH-UGSOOPFHSA-N
XLogP2.64
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide with MolForge

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Related Compounds

2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8593706
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 43089229
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(2,2,4-trioxo-1H-2λ6,3-benzothiazin-3-yl)acetamide
CID 94813038
N-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 18069905
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[cyclopropyl-[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetamide
CID 124832179
3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one
CID 79395357
2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(propylcarbamoyl)acetamide
CID 8724601
N-(cyclopentylcarbamoyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 46802249
2-[[2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 8724940
N-(4-methoxyphenyl)-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 8724702
N-(cyclohexylcarbamoyl)-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 8593716
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34944915

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide (CID 40821789) is N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide is C[C@H]1CCc2ccccc2N1CC(=O)N[C@@](C)(C#N)C1CC1.
What is the InChIKey of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide?
The InChIKey is DHKHZVXTZANTDH-UGSOOPFHSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-7-8-14-5-3-4-6-16(14)21(13)11-17(22)20-18(2,12-19)15-9-10-15/h3-6,13,15H,7-11H2,1-2H3,(H,20,22)/t13-,18-/m0/s1.
What are the key properties of N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide?
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide has a molecular weight of 297.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide is sourced from PubChem (CID 40821789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).