Dichloromethane;2-[(1S)-1-phenylethyl]pyridine;N-[phenyl(pyridin-2-yl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide;7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid

C₇₄H₅₅Cl₂F₆N₇O₅ — CID 159330572

About Dichloromethane;2-[(1S)-1-phenylethyl]pyridine;N-[phenyl(pyridin-2-yl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide;7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid

Dichloromethane;2-[(1S)-1-phenylethyl]pyridine;N-[phenyl(pyridin-2-yl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide;7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid (PubChem CID 159330572) has the molecular formula C₇₄H₅₅Cl₂F₆N₇O₅ and a molecular weight of 1307.19 g/mol. Its IUPAC name is dichloromethane;2-[(1S)-1-phenylethyl]pyridine;N-[phenyl(pyridin-2-yl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide;7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid.

Molecular Properties

• Compound Name: Dichloromethane;2-[(1S)-1-phenylethyl]pyridine;N-[phenyl(pyridin-2-yl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide;7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid
• PubChem CID: 159330572
• Molecular Formula: C₇₄H₅₅Cl₂F₆N₇O₅
• Molecular Weight: 1307.19 g/mol
• Exact Mass: 1305.35
• IUPAC Name: dichloromethane;2-[(1S)-1-phenylethyl]pyridine;N-[phenyl(pyridin-2-yl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide;7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid
• SMILES: C[C@@H](c1ccccc1)c1ccccn1.ClCCl.O=C(NC(c1ccccc1)c1ccccn1)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2c1.O=C(O)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2c1
• InChI: InChI=1S/C36H25F3N4O2.C24H15F3N2O3.C13H13N.CH2Cl2/c37-36(38,39)27-16-13-23(14-17-27)29-10-4-5-11-30(29)35(45)42-28-18-15-25-20-26(22-41-32(25)21-28)34(44)43-33(24-8-2-1-3-9-24)31-12-6-7-19-40-31;25-24(26,27)17-8-5-14(6-9-17)19-3-1-2-4-20(19)22(30)29-18-10-7-15-11-16(23(31)32)13-28-21(15)12-18;1-11(12-7-3-2-4-8-12)13-9-5-6-10-14-13;2-1-3/h1-22,33H,(H,42,45)(H,43,44);1-13H,(H,29,30)(H,31,32);2-11H,1H3;1H2/t;;11-;/m..0./s1
• InChIKey: LEXOOZCZQNGDTH-MCWBHULYSA-N
• XLogP: 18.61
• TPSA: 176.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1307.19
LogP ≤ 5	18.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Dichloromethane;2-[(1S)-1-phenylethyl]pyridine;N-[phenyl(pyridin-2-yl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide;7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid?

The IUPAC name of Dichloromethane;2-[(1S)-1-phenylethyl]pyridine;N-[phenyl(pyridin-2-yl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide;7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid (CID 159330572) is dichloromethane;2-[(1S)-1-phenylethyl]pyridine;N-[phenyl(pyridin-2-yl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide;7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid.

What is the SMILES notation for Dichloromethane;2-[(1S)-1-phenylethyl]pyridine;N-[phenyl(pyridin-2-yl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide;7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid?

The canonical SMILES for Dichloromethane;2-[(1S)-1-phenylethyl]pyridine;N-[phenyl(pyridin-2-yl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide;7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid is C[C@@H](c1ccccc1)c1ccccn1.ClCCl.O=C(NC(c1ccccc1)c1ccccn1)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2c1.O=C(O)c1cnc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2c1.

What is the InChIKey of Dichloromethane;2-[(1S)-1-phenylethyl]pyridine;N-[phenyl(pyridin-2-yl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide;7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid?

The InChIKey is LEXOOZCZQNGDTH-MCWBHULYSA-N. The full InChI is InChI=1S/C36H25F3N4O2.C24H15F3N2O3.C13H13N.CH2Cl2/c37-36(38,39)27-16-13-23(14-17-27)29-10-4-5-11-30(29)35(45)42-28-18-15-25-20-26(22-41-32(25)21-28)34(44)43-33(24-8-2-1-3-9-24)31-12-6-7-19-40-31;25-24(26,27)17-8-5-14(6-9-17)19-3-1-2-4-20(19)22(30)29-18-10-7-15-11-16(23(31)32)13-28-21(15)12-18;1-11(12-7-3-2-4-8-12)13-9-5-6-10-14-13;2-1-3/h1-22,33H,(H,42,45)(H,43,44);1-13H,(H,29,30)(H,31,32);2-11H,1H3;1H2/t;;11-;/m..0./s1.

What are the key properties of Dichloromethane;2-[(1S)-1-phenylethyl]pyridine;N-[phenyl(pyridin-2-yl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide;7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid?

Dichloromethane;2-[(1S)-1-phenylethyl]pyridine;N-[phenyl(pyridin-2-yl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide;7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid has a molecular weight of 1307.19 g/mol, XLogP of 18.61, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Dichloromethane;2-[(1S)-1-phenylethyl]pyridine;N-[phenyl(pyridin-2-yl)methyl]-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide;7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid is sourced from PubChem (CID 159330572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159330572 — identifiers, structure, computed properties (public domain)

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