7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one

C26H25F2N3O — CID 171809278

IUPAC7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCc1ccc(-c2cc3c(cc2C(F)F)N(c2ccc4c(c2)N(C)C(=O)CC4)CCC3)cn1
InChIInChI=1S/C26H25F2N3O/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/h5-7,9,12-15,26H,3-4,8,10-11H2,1-2H3
InChIKeyHFKSGWJQVOIODD-UHFFFAOYSA-N
MW433.50 g/mol
LogP5.99
Rot. Bonds3

About 7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one

7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 171809278) has the molecular formula C26H25F2N3O and a molecular weight of 433.50 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.

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
PubChem CID171809278
Molecular FormulaC26H25F2N3O
Molecular Weight433.50 g/mol
Exact Mass433.20
IUPAC Name7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCc1ccc(-c2cc3c(cc2C(F)F)N(c2ccc4c(c2)N(C)C(=O)CC4)CCC3)cn1
InChIInChI=1S/C26H25F2N3O/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/h5-7,9,12-15,26H,3-4,8,10-11H2,1-2H3
InChIKeyHFKSGWJQVOIODD-UHFFFAOYSA-N
XLogP5.99
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.50
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[6-(1-amino-3-methyliminoprop-1-en-2-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 162606770
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
5-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-7-propan-2-ylquinolin-2-one
CID 171809615
1-methyl-6-[6-(6-propan-2-yl-3-pyridinyl)-3,4-dihydro-2H-1,7-naphthyridin-1-yl]-3,4-dihydroquinolin-2-one
CID 177122934
7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-1-thiophen-3-yl-3,4-dihydro-2H-quinoline
CID 175866923
1-[8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]propan-1-one;methane
CID 158183074
methyl 5-[1-(7-chloro-1,3-dimethyl-2-oxo-4H-quinazolin-5-yl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-2-carboxylate
CID 171809873
5-[7-(difluoromethyl)-6-[1-(4-oxocyclohexyl)pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethylquinolin-2-one
CID 177343950
lithium 5-[7-(difluoromethyl)-1-[3-(methylcarbamoyl)-7-propan-2-yl-1H-indol-5-yl]-3,4-dihydro-2H-quinolin-6-yl]pyridine-2-carboxylate
CID 171809870
7-chloro-1-methyl-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinoline
CID 145090483
1-[8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4-methyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-N-methylethenamine
CID 166976564
5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]indole-3-carboxylic acid
CID 138655231

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?
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 (CID 171809278) is 7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one.
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?
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 is Cc1ccc(-c2cc3c(cc2C(F)F)N(c2ccc4c(c2)N(C)C(=O)CC4)CCC3)cn1.
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?
The InChIKey is HFKSGWJQVOIODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N3O/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/h5-7,9,12-15,26H,3-4,8,10-11H2,1-2H3.
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?
7-[7-(difluoromethyl)-6-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 433.50 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 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 is sourced from PubChem (CID 171809278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).