7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one;N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynyl]formamide

C44H42F2N6O5 — CID 171809277

IUPAC7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one;N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynyl]formamide
SMILESCc1ccc(-c2cc3c(cc2C(F)F)N(c2ccc4c(c2)N(C)C(=O)CC4)CCC3)cn1.O=CNCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C26H25F2N3O.C18H17N3O4/c1-16-5-6-19(15-29-16)21-12-18-4-3-11-31(24(18)14-22(21)26(27)28)20-9-7-17-8-10-25(32)30(2)23(17)13-20;22-11-19-9-2-1-4-12-5-3-6-13-14(12)10-21(18(13)25)15-7-8-16(23)20-17(15)24/h5-7,9,12-15,26H,3-4,8,10-11H2,1-2H3;3,5-6,11,15H,2,7-10H2,(H,19,22)(H,20,23,24)
InChIKeyAJPJZKPFHVOFOP-UHFFFAOYSA-N
MW772.85 g/mol
LogP5.92
Rot. Bonds7

About 7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one;N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynyl]formamide

7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one;N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynyl]formamide (PubChem CID 171809277) has the molecular formula C44H42F2N6O5 and a molecular weight of 772.85 g/mol. Its IUPAC name is 7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one;N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynyl]formamide.

Molecular Properties

Compound Name7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one;N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynyl]formamide
PubChem CID171809277
Molecular FormulaC44H42F2N6O5
Molecular Weight772.85 g/mol
Exact Mass772.32
IUPAC Name7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one;N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynyl]formamide
SMILESCc1ccc(-c2cc3c(cc2C(F)F)N(c2ccc4c(c2)N(C)C(=O)CC4)CCC3)cn1.O=CNCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C26H25F2N3O.C18H17N3O4/c1-16-5-6-19(15-29-16)21-12-18-4-3-11-31(24(18)14-22(21)26(27)28)20-9-7-17-8-10-25(32)30(2)23(17)13-20;22-11-19-9-2-1-4-12-5-3-6-13-14(12)10-21(18(13)25)15-7-8-16(23)20-17(15)24/h5-7,9,12-15,26H,3-4,8,10-11H2,1-2H3;3,5-6,11,15H,2,7-10H2,(H,19,22)(H,20,23,24)
InChIKeyAJPJZKPFHVOFOP-UHFFFAOYSA-N
XLogP5.92
TPSA132.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.85
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one;N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynyl]formamide with MolForge

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Related Compounds

5-[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxo-7-propan-2-yl-4H-quinazolin-5-yl)-3,4-dihydro-2H-quinolin-6-yl]-N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynyl]pyridine-2-carboxamide
CID 171809527
5-[7-(difluoromethyl)-1-(1,3-dimethyl-7-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3,4-dihydro-2H-quinolin-6-yl]-N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynyl]pyridine-2-carboxamide
CID 171809651
7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 171809278
N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynyl]-5-[8-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)isoquinolin-3-yl]pyridine-2-carboxamide
CID 171809704
N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynyl]-5-[8-(3-formyl-7-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl)isoquinolin-3-yl]pyridine-2-carboxamide
CID 171809137
3-[7-[2-[4-[[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]piperidin-1-yl]methyl]phenyl]ethynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171399464
5-[3-[6-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynylcarbamoyl]-3-pyridinyl]isoquinolin-8-yl]-N-methyl-7-(2-oxopyrrolidin-1-yl)-1H-indole-3-carboxamide
CID 171809997
tert-butyl N-[(1R)-1-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynoxy]-2-oxoethyl]carbamate
CID 168832706
3-[7-[5-(methylamino)pent-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166594196
3-[7-[4-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethylamino]but-1-ynyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156882901
3-[7-(8-hydroxyoct-1-ynyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165166589
3-[7-(11-hydroxyundec-1-ynyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171835945

Frequently Asked Questions

What is the IUPAC name of 7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one;N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynyl]formamide?
The IUPAC name of 7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one;N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynyl]formamide (CID 171809277) is 7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one;N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynyl]formamide.
What is the SMILES notation for 7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one;N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynyl]formamide?
The canonical SMILES for 7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one;N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynyl]formamide is Cc1ccc(-c2cc3c(cc2C(F)F)N(c2ccc4c(c2)N(C)C(=O)CC4)CCC3)cn1.O=CNCCC#Cc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one;N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynyl]formamide?
The InChIKey is AJPJZKPFHVOFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N3O.C18H17N3O4/c1-16-5-6-19(15-29-16)21-12-18-4-3-11-31(24(18)14-22(21)26(27)28)20-9-7-17-8-10-25(32)30(2)23(17)13-20;22-11-19-9-2-1-4-12-5-3-6-13-14(12)10-21(18(13)25)15-7-8-16(23)20-17(15)24/h5-7,9,12-15,26H,3-4,8,10-11H2,1-2H3;3,5-6,11,15H,2,7-10H2,(H,19,22)(H,20,23,24).
What are the key properties of 7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one;N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynyl]formamide?
7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one;N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynyl]formamide has a molecular weight of 772.85 g/mol, XLogP of 5.92, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one;N-[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]but-3-ynyl]formamide is sourced from PubChem (CID 171809277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).