8-(2,2-difluoroethoxy)-3,6-dimethylquinoline;N-[2-[5-(2,2-difluoroethoxy)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-3,3,3-trifluoropropyl]formamide;formamide

C32H32F8N4O4 — CID 164910453

IUPAC8-(2,2-difluoroethoxy)-3,6-dimethylquinoline;N-[2-[5-(2,2-difluoroethoxy)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-3,3,3-trifluoropropyl]formamide;formamide
SMILESCc1cc(C(CNC=O)C(F)(F)F)nc(-c2ccc(F)cc2)c1OCC(F)F.Cc1cnc2c(OCC(F)F)cc(C)cc2c1.NC=O
InChIInChI=1S/C18H16F6N2O2.C13H13F2NO.CH3NO/c1-10-6-14(13(7-25-9-27)18(22,23)24)26-16(17(10)28-8-15(20)21)11-2-4-12(19)5-3-11;1-8-3-10-4-9(2)6-16-13(10)11(5-8)17-7-12(14)15;2-1-3/h2-6,9,13,15H,7-8H2,1H3,(H,25,27);3-6,12H,7H2,1-2H3;1H,(H2,2,3)
InChIKeyAJYZZMZTWUUYLM-UHFFFAOYSA-N
MW688.62 g/mol
LogP6.83
Rot. Bonds11

About 8-(2,2-difluoroethoxy)-3,6-dimethylquinoline;N-[2-[5-(2,2-difluoroethoxy)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-3,3,3-trifluoropropyl]formamide;formamide

8-(2,2-difluoroethoxy)-3,6-dimethylquinoline;N-[2-[5-(2,2-difluoroethoxy)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-3,3,3-trifluoropropyl]formamide;formamide (PubChem CID 164910453) has the molecular formula C32H32F8N4O4 and a molecular weight of 688.62 g/mol. Its IUPAC name is 8-(2,2-difluoroethoxy)-3,6-dimethylquinoline;N-[2-[5-(2,2-difluoroethoxy)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-3,3,3-trifluoropropyl]formamide;formamide.

Molecular Properties

Compound Name8-(2,2-difluoroethoxy)-3,6-dimethylquinoline;N-[2-[5-(2,2-difluoroethoxy)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-3,3,3-trifluoropropyl]formamide;formamide
PubChem CID164910453
Molecular FormulaC32H32F8N4O4
Molecular Weight688.62 g/mol
Exact Mass688.23
IUPAC Name8-(2,2-difluoroethoxy)-3,6-dimethylquinoline;N-[2-[5-(2,2-difluoroethoxy)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-3,3,3-trifluoropropyl]formamide;formamide
SMILESCc1cc(C(CNC=O)C(F)(F)F)nc(-c2ccc(F)cc2)c1OCC(F)F.Cc1cnc2c(OCC(F)F)cc(C)cc2c1.NC=O
InChIInChI=1S/C18H16F6N2O2.C13H13F2NO.CH3NO/c1-10-6-14(13(7-25-9-27)18(22,23)24)26-16(17(10)28-8-15(20)21)11-2-4-12(19)5-3-11;1-8-3-10-4-9(2)6-16-13(10)11(5-8)17-7-12(14)15;2-1-3/h2-6,9,13,15H,7-8H2,1H3,(H,25,27);3-6,12H,7H2,1-2H3;1H,(H2,2,3)
InChIKeyAJYZZMZTWUUYLM-UHFFFAOYSA-N
XLogP6.83
TPSA116.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.62
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-(2,2-difluoroethoxy)-3,6-dimethylquinoline;N-[2-[5-(2,2-difluoroethoxy)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-3,3,3-trifluoropropyl]formamide;formamide with MolForge

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Related Compounds

(R)-N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-2-(quinolin-8-yloxy)acetamide
CID 90241758
N-[2-(quinolin-8-yloxy)ethyl]acetamide
CID 3104609
(E)-N-({Methyl-[3-(2-methyl-quinolin-8-yloxymethyl)-2,4-bis-((E)-2-pyridin-4-yl-vinyl)-phenyl]-carbamoyl}-methyl)-3-[6-((E)-2-pyridin-4-yl-vinyl)-pyridin-3-yl]-acrylamide
CID 44360968
N-(4-methylphenyl)-2-[methyl-(2-quinolin-8-yloxyacetyl)amino]acetamide
CID 2451027
N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-2-(quinolin-8-yloxy)acetamide
CID 75593311
(S)-N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-2-(quinolin-8-yloxy)acetamide
CID 90240984
US10155760, Example 131
CID 118419835
US10155760, Example 226
CID 118419920
US10155760, Example 227
CID 118420148
US10155760, Example 129
CID 118421399
US10155760, Example 118
CID 118429808
US10155760, Example 145
CID 118429817

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-difluoroethoxy)-3,6-dimethylquinoline;N-[2-[5-(2,2-difluoroethoxy)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-3,3,3-trifluoropropyl]formamide;formamide?
The IUPAC name of 8-(2,2-difluoroethoxy)-3,6-dimethylquinoline;N-[2-[5-(2,2-difluoroethoxy)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-3,3,3-trifluoropropyl]formamide;formamide (CID 164910453) is 8-(2,2-difluoroethoxy)-3,6-dimethylquinoline;N-[2-[5-(2,2-difluoroethoxy)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-3,3,3-trifluoropropyl]formamide;formamide.
What is the SMILES notation for 8-(2,2-difluoroethoxy)-3,6-dimethylquinoline;N-[2-[5-(2,2-difluoroethoxy)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-3,3,3-trifluoropropyl]formamide;formamide?
The canonical SMILES for 8-(2,2-difluoroethoxy)-3,6-dimethylquinoline;N-[2-[5-(2,2-difluoroethoxy)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-3,3,3-trifluoropropyl]formamide;formamide is Cc1cc(C(CNC=O)C(F)(F)F)nc(-c2ccc(F)cc2)c1OCC(F)F.Cc1cnc2c(OCC(F)F)cc(C)cc2c1.NC=O.
What is the InChIKey of 8-(2,2-difluoroethoxy)-3,6-dimethylquinoline;N-[2-[5-(2,2-difluoroethoxy)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-3,3,3-trifluoropropyl]formamide;formamide?
The InChIKey is AJYZZMZTWUUYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N2O2.C13H13F2NO.CH3NO/c1-10-6-14(13(7-25-9-27)18(22,23)24)26-16(17(10)28-8-15(20)21)11-2-4-12(19)5-3-11;1-8-3-10-4-9(2)6-16-13(10)11(5-8)17-7-12(14)15;2-1-3/h2-6,9,13,15H,7-8H2,1H3,(H,25,27);3-6,12H,7H2,1-2H3;1H,(H2,2,3).
What are the key properties of 8-(2,2-difluoroethoxy)-3,6-dimethylquinoline;N-[2-[5-(2,2-difluoroethoxy)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-3,3,3-trifluoropropyl]formamide;formamide?
8-(2,2-difluoroethoxy)-3,6-dimethylquinoline;N-[2-[5-(2,2-difluoroethoxy)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-3,3,3-trifluoropropyl]formamide;formamide has a molecular weight of 688.62 g/mol, XLogP of 6.83, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-difluoroethoxy)-3,6-dimethylquinoline;N-[2-[5-(2,2-difluoroethoxy)-6-(4-fluorophenyl)-4-methyl-2-pyridinyl]-3,3,3-trifluoropropyl]formamide;formamide is sourced from PubChem (CID 164910453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).