8-methoxy-2,6-dimethylquinoline;N-[3,3,3-trifluoro-2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]formamide

C32H33F4N3O4 — CID 144795485

IUPAC8-methoxy-2,6-dimethylquinoline;N-[3,3,3-trifluoro-2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]formamide
SMILESCOc1cc(C)cc2ccc(C)nc12.Cc1cc(-c2nc(C(O)(CNC=O)C(F)(F)F)cc3c2OCC3(C)C)ccc1F
InChIInChI=1S/C20H20F4N2O3.C12H13NO/c1-11-6-12(4-5-14(11)21)16-17-13(18(2,3)9-29-17)7-15(26-16)19(28,8-25-10-27)20(22,23)24;1-8-6-10-5-4-9(2)13-12(10)11(7-8)14-3/h4-7,10,28H,8-9H2,1-3H3,(H,25,27);4-7H,1-3H3
InChIKeyATYPDBZDFLFBJP-UHFFFAOYSA-N
MW599.63 g/mol
LogP6.22
Rot. Bonds6

About 8-methoxy-2,6-dimethylquinoline;N-[3,3,3-trifluoro-2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]formamide

8-methoxy-2,6-dimethylquinoline;N-[3,3,3-trifluoro-2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]formamide (PubChem CID 144795485) has the molecular formula C32H33F4N3O4 and a molecular weight of 599.63 g/mol. Its IUPAC name is 8-methoxy-2,6-dimethylquinoline;N-[3,3,3-trifluoro-2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]formamide.

Molecular Properties

Compound Name8-methoxy-2,6-dimethylquinoline;N-[3,3,3-trifluoro-2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]formamide
PubChem CID144795485
Molecular FormulaC32H33F4N3O4
Molecular Weight599.63 g/mol
Exact Mass599.24
IUPAC Name8-methoxy-2,6-dimethylquinoline;N-[3,3,3-trifluoro-2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]formamide
SMILESCOc1cc(C)cc2ccc(C)nc12.Cc1cc(-c2nc(C(O)(CNC=O)C(F)(F)F)cc3c2OCC3(C)C)ccc1F
InChIInChI=1S/C20H20F4N2O3.C12H13NO/c1-11-6-12(4-5-14(11)21)16-17-13(18(2,3)9-29-17)7-15(26-16)19(28,8-25-10-27)20(22,23)24;1-8-6-10-5-4-9(2)13-12(10)11(7-8)14-3/h4-7,10,28H,8-9H2,1-3H3,(H,25,27);4-7H,1-3H3
InChIKeyATYPDBZDFLFBJP-UHFFFAOYSA-N
XLogP6.22
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.63
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-methoxy-2,6-dimethylquinoline;N-[3,3,3-trifluoro-2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]formamide with MolForge

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Related Compounds

US11420976, Example 16
CID 156809888
US11420976, Example 6
CID 156809951
US11420976, Example 5
CID 156809961
US11420976, Example 10
CID 163633832
US11420976, Example 17
CID 165436685
US11420976, Example 59e
CID 165436721
N-[[2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide
CID 168178137
N-[[4-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-5-oxaspiro[2.4]heptan-4-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide
CID 168178239
N-[[4,4-difluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]oxolan-2-yl]methyl]-8-methoxy-3-methylcinnoline-6-carboxamide
CID 168178303
2-fluoro-8-methoxy-3-methyl-N-[(2S)-3,3,3-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxypropyl]quinoline-6-carboxamide
CID 168823621
N-[(2S)-2-[(3R)-3-acetamido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxy-3-methylquinoline-6-carboxamide
CID 177653154
N-[(2S)-2-[(3R)-3-acetamido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-cyclopropyloxy-3-fluoroquinoline-6-carboxamide
CID 177655465

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,6-dimethylquinoline;N-[3,3,3-trifluoro-2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]formamide?
The IUPAC name of 8-methoxy-2,6-dimethylquinoline;N-[3,3,3-trifluoro-2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]formamide (CID 144795485) is 8-methoxy-2,6-dimethylquinoline;N-[3,3,3-trifluoro-2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]formamide.
What is the SMILES notation for 8-methoxy-2,6-dimethylquinoline;N-[3,3,3-trifluoro-2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]formamide?
The canonical SMILES for 8-methoxy-2,6-dimethylquinoline;N-[3,3,3-trifluoro-2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]formamide is COc1cc(C)cc2ccc(C)nc12.Cc1cc(-c2nc(C(O)(CNC=O)C(F)(F)F)cc3c2OCC3(C)C)ccc1F.
What is the InChIKey of 8-methoxy-2,6-dimethylquinoline;N-[3,3,3-trifluoro-2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]formamide?
The InChIKey is ATYPDBZDFLFBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O3.C12H13NO/c1-11-6-12(4-5-14(11)21)16-17-13(18(2,3)9-29-17)7-15(26-16)19(28,8-25-10-27)20(22,23)24;1-8-6-10-5-4-9(2)13-12(10)11(7-8)14-3/h4-7,10,28H,8-9H2,1-3H3,(H,25,27);4-7H,1-3H3.
What are the key properties of 8-methoxy-2,6-dimethylquinoline;N-[3,3,3-trifluoro-2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]formamide?
8-methoxy-2,6-dimethylquinoline;N-[3,3,3-trifluoro-2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]formamide has a molecular weight of 599.63 g/mol, XLogP of 6.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,6-dimethylquinoline;N-[3,3,3-trifluoro-2-[7-(4-fluoro-3-methylphenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]formamide is sourced from PubChem (CID 144795485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).