N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C20H22FN3O2 — CID 51926834

About N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 51926834) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
• PubChem CID: 51926834
• Molecular Formula: C20H22FN3O2
• Molecular Weight: 355.41 g/mol
• Exact Mass: 355.17
• IUPAC Name: N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
• SMILES: CN(C)[C@H](CNC(=O)c1ccc2c(c1)CCC(=O)N2)c1cccc(F)c1
• InChI: InChI=1S/C20H22FN3O2/c1-24(2)18(14-4-3-5-16(21)11-14)12-22-20(26)15-6-8-17-13(10-15)7-9-19(25)23-17/h3-6,8,10-11,18H,7,9,12H2,1-2H3,(H,22,26)(H,23,25)/t18-/m1/s1
• InChIKey: LDLQMUQCOZPMSX-GOSISDBHSA-N
• XLogP: 2.74
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.41
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?

The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 51926834) is N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?

The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is CN(C)[C@H](CNC(=O)c1ccc2c(c1)CCC(=O)N2)c1cccc(F)c1.

What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?

The InChIKey is LDLQMUQCOZPMSX-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-24(2)18(14-4-3-5-16(21)11-14)12-22-20(26)15-6-8-17-13(10-15)7-9-19(25)23-17/h3-6,8,10-11,18H,7,9,12H2,1-2H3,(H,22,26)(H,23,25)/t18-/m1/s1.

What are the key properties of N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?

N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 51926834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).