1-[(2R)-6-(1-amino-3-pentyliminoprop-1-en-2-yl)-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

C23H33N3O — CID 174002526

IUPAC1-[(2R)-6-(1-amino-3-pentyliminoprop-1-en-2-yl)-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCCCCC/N=C/C(=CN)c1ccc2c(c1)CC(C)[C@H](C1CC1)N2C(C)=O
InChIInChI=1S/C23H33N3O/c1-4-5-6-11-25-15-21(14-24)19-9-10-22-20(13-19)12-16(2)23(18-7-8-18)26(22)17(3)27/h9-10,13-16,18,23H,4-8,11-12,24H2,1-3H3/b21-14?,25-15+/t16?,23-/m1/s1
InChIKeyJPEUVUJKAJPTRE-NJVBSVRZSA-N
MW367.54 g/mol
LogP4.57
Rot. Bonds7

About 1-[(2R)-6-(1-amino-3-pentyliminoprop-1-en-2-yl)-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[(2R)-6-(1-amino-3-pentyliminoprop-1-en-2-yl)-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 174002526) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 1-[(2R)-6-(1-amino-3-pentyliminoprop-1-en-2-yl)-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-6-(1-amino-3-pentyliminoprop-1-en-2-yl)-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID174002526
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name1-[(2R)-6-(1-amino-3-pentyliminoprop-1-en-2-yl)-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCCCCC/N=C/C(=CN)c1ccc2c(c1)CC(C)[C@H](C1CC1)N2C(C)=O
InChIInChI=1S/C23H33N3O/c1-4-5-6-11-25-15-21(14-24)19-9-10-22-20(13-19)12-16(2)23(18-7-8-18)26(22)17(3)27/h9-10,13-16,18,23H,4-8,11-12,24H2,1-3H3/b21-14?,25-15+/t16?,23-/m1/s1
InChIKeyJPEUVUJKAJPTRE-NJVBSVRZSA-N
XLogP4.57
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[(2R)-6-(1-amino-3-pentyliminoprop-1-en-2-yl)-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[(2R)-6-[1-amino-3-(2-hydroxyethylimino)prop-1-en-2-yl]-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 174002492
1-[(2R)-2-cyclopropyl-6-[(Z)-3-imino-1-methylphosphanylprop-1-en-2-yl]-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 167025025
(2R)-1-acetyl-2-cyclopropyl-N-(2-hydroxypropyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 144701590
(2R)-1-acetyl-N-[2-[acetyl(methyl)amino]ethyl]-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 144701670
(2R)-1-acetyl-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide;6-(piperazin-1-ylmethyl)pyridin-2-amine
CID 144701519
1-[(2R,3R)-2-cyclopropyl-7-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325824
ethyl (2S)-1-acetyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 139325772
3-aminopyrazine-2-carboxamide;1-[(2R)-2-cyclopropyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 144701690
(2R,3R)-2-cyclopropyl-1-ethanimidoyl-N-(2-hydroxyethyl)-3-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 144701598
(2S)-1-acetyl-N-ethyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 139326413
acetaldehyde;5-amino-2-chlorophenol;(2R)-2-cyclopropyl-1,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 144701399
1-(5-amino-2-methyl-2,3-dihydroindol-1-yl)octan-1-one
CID 43550092

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-6-(1-amino-3-pentyliminoprop-1-en-2-yl)-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-6-(1-amino-3-pentyliminoprop-1-en-2-yl)-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 174002526) is 1-[(2R)-6-(1-amino-3-pentyliminoprop-1-en-2-yl)-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-6-(1-amino-3-pentyliminoprop-1-en-2-yl)-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-6-(1-amino-3-pentyliminoprop-1-en-2-yl)-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is CCCCC/N=C/C(=CN)c1ccc2c(c1)CC(C)[C@H](C1CC1)N2C(C)=O.
What is the InChIKey of 1-[(2R)-6-(1-amino-3-pentyliminoprop-1-en-2-yl)-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is JPEUVUJKAJPTRE-NJVBSVRZSA-N. The full InChI is InChI=1S/C23H33N3O/c1-4-5-6-11-25-15-21(14-24)19-9-10-22-20(13-19)12-16(2)23(18-7-8-18)26(22)17(3)27/h9-10,13-16,18,23H,4-8,11-12,24H2,1-3H3/b21-14?,25-15+/t16?,23-/m1/s1.
What are the key properties of 1-[(2R)-6-(1-amino-3-pentyliminoprop-1-en-2-yl)-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[(2R)-6-(1-amino-3-pentyliminoprop-1-en-2-yl)-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 367.54 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-6-(1-amino-3-pentyliminoprop-1-en-2-yl)-2-cyclopropyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 174002526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).