8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-4-pyridinyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C35H35F2N7O4 — CID 170973278

IUPAC8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-4-pyridinyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCNC(=O)N1CCc2cc(-c3ccn(C4CCC(=O)NC4=O)c(=O)c3)cc(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)c2C1
InChIInChI=1S/C35H35F2N7O4/c1-38-35(48)42-10-7-21-12-23(20-8-11-44(32(46)15-20)28-5-6-31(45)40-34(28)47)14-30(27(21)19-42)43-9-3-4-22-13-25(24-17-39-41(2)18-24)26(33(36)37)16-29(22)43/h8,11-18,28,33H,3-7,9-10,19H2,1-2H3,(H,38,48)(H,40,45,47)
InChIKeyYCCDBXYZDOPOCG-UHFFFAOYSA-N
MW655.71 g/mol
LogP4.61
Rot. Bonds5

About 8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-4-pyridinyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-4-pyridinyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 170973278) has the molecular formula C35H35F2N7O4 and a molecular weight of 655.71 g/mol. Its IUPAC name is 8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-4-pyridinyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-4-pyridinyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID170973278
Molecular FormulaC35H35F2N7O4
Molecular Weight655.71 g/mol
Exact Mass655.27
IUPAC Name8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-4-pyridinyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCNC(=O)N1CCc2cc(-c3ccn(C4CCC(=O)NC4=O)c(=O)c3)cc(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)c2C1
InChIInChI=1S/C35H35F2N7O4/c1-38-35(48)42-10-7-21-12-23(20-8-11-44(32(46)15-20)28-5-6-31(45)40-34(28)47)14-30(27(21)19-42)43-9-3-4-22-13-25(24-17-39-41(2)18-24)26(33(36)37)16-29(22)43/h8,11-18,28,33H,3-7,9-10,19H2,1-2H3,(H,38,48)(H,40,45,47)
InChIKeyYCCDBXYZDOPOCG-UHFFFAOYSA-N
XLogP4.61
TPSA121.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500655.71
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-4-pyridinyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-4-pyridinyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 170973278) is 8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-4-pyridinyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-4-pyridinyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-4-pyridinyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is CNC(=O)N1CCc2cc(-c3ccn(C4CCC(=O)NC4=O)c(=O)c3)cc(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)c2C1.
What is the InChIKey of 8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-4-pyridinyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is YCCDBXYZDOPOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35F2N7O4/c1-38-35(48)42-10-7-21-12-23(20-8-11-44(32(46)15-20)28-5-6-31(45)40-34(28)47)14-30(27(21)19-42)43-9-3-4-22-13-25(24-17-39-41(2)18-24)26(33(36)37)16-29(22)43/h8,11-18,28,33H,3-7,9-10,19H2,1-2H3,(H,38,48)(H,40,45,47).
What are the key properties of 8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-4-pyridinyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-4-pyridinyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 655.71 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-[1-(2,6-dioxopiperidin-3-yl)-2-oxo-4-pyridinyl]-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 170973278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).