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

C20H27N3O2 — CID 174002492

About 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

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 (PubChem CID 174002492) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 174002492
• Molecular Formula: C20H27N3O2
• Molecular Weight: 341.46 g/mol
• Exact Mass: 341.21
• IUPAC Name: 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
• SMILES: CC(=O)N1c2ccc(C(=CN)/C=N/CCO)cc2CC(C)[C@@H]1C1CC1
• InChI: InChI=1S/C20H27N3O2/c1-13-9-17-10-16(18(11-21)12-22-7-8-24)5-6-19(17)23(14(2)25)20(13)15-3-4-15/h5-6,10-13,15,20,24H,3-4,7-9,21H2,1-2H3/b18-11?,22-12+/t13?,20-/m1/s1
• InChIKey: BFBCCKQCRFGMKL-DMBFBLGKSA-N
• XLogP: 2.37
• TPSA: 78.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.46
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(=O)N1c2ccc(C(=CN)/C=N/CCO)cc2CC(C)[C@@H]1C1CC1.

What is the InChIKey of 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?

The InChIKey is BFBCCKQCRFGMKL-DMBFBLGKSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-13-9-17-10-16(18(11-21)12-22-7-8-24)5-6-19(17)23(14(2)25)20(13)15-3-4-15/h5-6,10-13,15,20,24H,3-4,7-9,21H2,1-2H3/b18-11?,22-12+/t13?,20-/m1/s1.

What are the key properties of 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?

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 has a molecular weight of 341.46 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 174002492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).