N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride

C15H21ClFN3O2 — CID 120650314

About N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride (PubChem CID 120650314) has the molecular formula C15H21ClFN3O2 and a molecular weight of 329.80 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
• PubChem CID: 120650314
• Molecular Formula: C15H21ClFN3O2
• Molecular Weight: 329.80 g/mol
• Exact Mass: 329.13
• IUPAC Name: N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
• SMILES: CCN[C@H](C)CNC(=O)C1CC(=O)Nc2cc(F)ccc21.Cl
• InChI: InChI=1S/C15H20FN3O2.ClH/c1-3-17-9(2)8-18-15(21)12-7-14(20)19-13-6-10(16)4-5-11(12)13;/h4-6,9,12,17H,3,7-8H2,1-2H3,(H,18,21)(H,19,20);1H/t9-,12?;/m1./s1
• InChIKey: YAMXIHDGGNRNHY-SWHRJYHISA-N
• XLogP: 1.79
• TPSA: 70.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.80
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?

The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride (CID 120650314) is N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride.

What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?

The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride is CCN[C@H](C)CNC(=O)C1CC(=O)Nc2cc(F)ccc21.Cl.

What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?

The InChIKey is YAMXIHDGGNRNHY-SWHRJYHISA-N. The full InChI is InChI=1S/C15H20FN3O2.ClH/c1-3-17-9(2)8-18-15(21)12-7-14(20)19-13-6-10(16)4-5-11(12)13;/h4-6,9,12,17H,3,7-8H2,1-2H3,(H,18,21)(H,19,20);1H/t9-,12?;/m1./s1.

What are the key properties of N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?

N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride has a molecular weight of 329.80 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride is sourced from PubChem (CID 120650314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).