N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride

C31H30ClF3N4O3 — CID 173117307

About N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride

N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride (PubChem CID 173117307) has the molecular formula C31H30ClF3N4O3 and a molecular weight of 599.05 g/mol. Its IUPAC name is N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride.

Molecular Properties

• Compound Name: N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride
• PubChem CID: 173117307
• Molecular Formula: C31H30ClF3N4O3
• Molecular Weight: 599.05 g/mol
• Exact Mass: 598.20
• IUPAC Name: N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride
• SMILES: CC1CCN(c2ccc(C(=CC=CC(=O)Nc3cccc4c3CC(O)C(=O)N4)c3ccc(C(F)(F)F)cc3)cn2)C1.Cl
• InChI: InChI=1S/C31H29F3N4O3.ClH/c1-19-14-15-38(18-19)28-13-10-21(17-35-28)23(20-8-11-22(12-9-20)31(32,33)34)4-2-7-29(40)36-25-5-3-6-26-24(25)16-27(39)30(41)37-26;/h2-13,17,19,27,39H,14-16,18H2,1H3,(H,36,40)(H,37,41);1H
• InChIKey: NSZVLLUHRFUAGN-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 94.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.05
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride?

The IUPAC name of N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride (CID 173117307) is N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride.

What is the SMILES notation for N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride?

The canonical SMILES for N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride is CC1CCN(c2ccc(C(=CC=CC(=O)Nc3cccc4c3CC(O)C(=O)N4)c3ccc(C(F)(F)F)cc3)cn2)C1.Cl.

What is the InChIKey of N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride?

The InChIKey is NSZVLLUHRFUAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F3N4O3.ClH/c1-19-14-15-38(18-19)28-13-10-21(17-35-28)23(20-8-11-22(12-9-20)31(32,33)34)4-2-7-29(40)36-25-5-3-6-26-24(25)16-27(39)30(41)37-26;/h2-13,17,19,27,39H,14-16,18H2,1H3,(H,36,40)(H,37,41);1H.

What are the key properties of N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride?

N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride has a molecular weight of 599.05 g/mol, XLogP of 5.85, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[6-(3-methylpyrrolidin-1-yl)-3-pyridinyl]-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride is sourced from PubChem (CID 173117307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).