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

C32H36F2N4O — CID 176986328

IUPAC6-[7-(difluoromethyl)-6-[6-(2-piperidin-4-ylethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(N3CCCc4cc(-c5ccc(CCC6CCNCC6)nc5)c(C(F)F)cc43)ccc21
InChIInChI=1S/C32H36F2N4O/c1-37-29-10-9-26(17-23(29)6-11-31(37)39)38-16-2-3-22-18-27(28(32(33)34)19-30(22)38)24-5-8-25(36-20-24)7-4-21-12-14-35-15-13-21/h5,8-10,17-21,32,35H,2-4,6-7,11-16H2,1H3
InChIKeyORVKXBMGCDRGDW-UHFFFAOYSA-N
MW530.66 g/mol
LogP6.61
Rot. Bonds6

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

6-[7-(difluoromethyl)-6-[6-(2-piperidin-4-ylethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 176986328) has the molecular formula C32H36F2N4O and a molecular weight of 530.66 g/mol. Its IUPAC name is 6-[7-(difluoromethyl)-6-[6-(2-piperidin-4-ylethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-[7-(difluoromethyl)-6-[6-(2-piperidin-4-ylethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID176986328
Molecular FormulaC32H36F2N4O
Molecular Weight530.66 g/mol
Exact Mass530.29
IUPAC Name6-[7-(difluoromethyl)-6-[6-(2-piperidin-4-ylethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(N3CCCc4cc(-c5ccc(CCC6CCNCC6)nc5)c(C(F)F)cc43)ccc21
InChIInChI=1S/C32H36F2N4O/c1-37-29-10-9-26(17-23(29)6-11-31(37)39)38-16-2-3-22-18-27(28(32(33)34)19-30(22)38)24-5-8-25(36-20-24)7-4-21-12-14-35-15-13-21/h5,8-10,17-21,32,35H,2-4,6-7,11-16H2,1H3
InChIKeyORVKXBMGCDRGDW-UHFFFAOYSA-N
XLogP6.61
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.66
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

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N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-2-(4-pyridin-4-ylnaphthalen-1-yl)acetamide
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N-(1-Methylpiperidin-4-yl)-4'-(2-oxo-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-1(2H)-yl)-2'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxamide
CID 53308041
N-methyl-4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
CID 56673417
US10370360, Example 4
CID 130364457
5-[(3R,5R)-5-methyl-1-[2-(3-methyl-3-azabicyclo[3.1.1]heptan-6-yl)acetyl]piperidin-3-yl]quinoline-8-carbonitrile
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CID 137634751
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Frequently Asked Questions

What is the IUPAC name of 6-[7-(difluoromethyl)-6-[6-(2-piperidin-4-ylethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-[7-(difluoromethyl)-6-[6-(2-piperidin-4-ylethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one (CID 176986328) is 6-[7-(difluoromethyl)-6-[6-(2-piperidin-4-ylethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-[7-(difluoromethyl)-6-[6-(2-piperidin-4-ylethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-[7-(difluoromethyl)-6-[6-(2-piperidin-4-ylethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(N3CCCc4cc(-c5ccc(CCC6CCNCC6)nc5)c(C(F)F)cc43)ccc21.
What is the InChIKey of 6-[7-(difluoromethyl)-6-[6-(2-piperidin-4-ylethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is ORVKXBMGCDRGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36F2N4O/c1-37-29-10-9-26(17-23(29)6-11-31(37)39)38-16-2-3-22-18-27(28(32(33)34)19-30(22)38)24-5-8-25(36-20-24)7-4-21-12-14-35-15-13-21/h5,8-10,17-21,32,35H,2-4,6-7,11-16H2,1H3.
What are the key properties of 6-[7-(difluoromethyl)-6-[6-(2-piperidin-4-ylethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one?
6-[7-(difluoromethyl)-6-[6-(2-piperidin-4-ylethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 530.66 g/mol, XLogP of 6.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(difluoromethyl)-6-[6-(2-piperidin-4-ylethyl)-3-pyridinyl]-3,4-dihydro-2H-quinolin-1-yl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 176986328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).