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

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

5-[6-(dimethylamino)-3-pyridinyl]-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride (PubChem CID 173122037) has the molecular formula C28H26ClF3N4O3 and a molecular weight of 558.99 g/mol. Its IUPAC name is 5-[6-(dimethylamino)-3-pyridinyl]-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride.

Molecular Properties

Compound Name	5-[6-(dimethylamino)-3-pyridinyl]-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride
PubChem CID	173122037
Molecular Formula	C28H26ClF3N4O3
Molecular Weight	558.99 g/mol
Exact Mass	558.16
IUPAC Name	5-[6-(dimethylamino)-3-pyridinyl]-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride
SMILES	CN(C)c1ccc(C(=CC=CC(=O)Nc2cccc3c2CC(O)C(=O)N3)c2ccc(C(F)(F)F)cc2)cn1.Cl
InChI	InChI=1S/C28H25F3N4O3.ClH/c1-35(2)25-14-11-18(16-32-25)20(17-9-12-19(13-10-17)28(29,30)31)5-3-8-26(37)33-22-6-4-7-23-21(22)15-24(36)27(38)34-23;/h3-14,16,24,36H,15H2,1-2H3,(H,33,37)(H,34,38);1H
InChIKey	LFBMYNRPXJHPNW-UHFFFAOYSA-N
XLogP	5.07
TPSA	94.56 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.99
LogP ≤ 5	5.07
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'}

Related Compounds

Frequently Asked Questions

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

The IUPAC name of 5-[6-(dimethylamino)-3-pyridinyl]-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride (CID 173122037) is 5-[6-(dimethylamino)-3-pyridinyl]-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride.

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

The canonical SMILES for 5-[6-(dimethylamino)-3-pyridinyl]-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride is CN(C)c1ccc(C(=CC=CC(=O)Nc2cccc3c2CC(O)C(=O)N3)c2ccc(C(F)(F)F)cc2)cn1.Cl.

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

The InChIKey is LFBMYNRPXJHPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N4O3.ClH/c1-35(2)25-14-11-18(16-32-25)20(17-9-12-19(13-10-17)28(29,30)31)5-3-8-26(37)33-22-6-4-7-23-21(22)15-24(36)27(38)34-23;/h3-14,16,24,36H,15H2,1-2H3,(H,33,37)(H,34,38);1H.

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

5-[6-(dimethylamino)-3-pyridinyl]-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride has a molecular weight of 558.99 g/mol, XLogP of 5.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(dimethylamino)-3-pyridinyl]-N-(3-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienamide;hydrochloride is sourced from PubChem (CID 173122037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).