3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]methanone

C24H24FN3O — CID 91952255

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(c2ccnc3ccc(F)cc23)C1)N1CCc2ccccc2C1
InChIInChI=1S/C24H24FN3O/c25-20-7-8-22-21(14-20)23(9-11-26-22)27-12-3-6-19(16-27)24(29)28-13-10-17-4-1-2-5-18(17)15-28/h1-2,4-5,7-9,11,14,19H,3,6,10,12-13,15-16H2
InChIKeyHUITXDOJRDCPIM-UHFFFAOYSA-N
MW389.47 g/mol
LogP4.18
Rot. Bonds2

About 3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]methanone (PubChem CID 91952255) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]methanone
PubChem CID91952255
Molecular FormulaC24H24FN3O
Molecular Weight389.47 g/mol
Exact Mass389.19
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(c2ccnc3ccc(F)cc23)C1)N1CCc2ccccc2C1
InChIInChI=1S/C24H24FN3O/c25-20-7-8-22-21(14-20)23(9-11-26-22)27-12-3-6-19(16-27)24(29)28-13-10-17-4-1-2-5-18(17)15-28/h1-2,4-5,7-9,11,14,19H,3,6,10,12-13,15-16H2
InChIKeyHUITXDOJRDCPIM-UHFFFAOYSA-N
XLogP4.18
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]methanone with MolForge

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Related Compounds

azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
CID 91952386
3,4-dihydro-1H-isoquinolin-2-yl-[1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]methanone
CID 20924835
6-fluoro-4-piperidin-1-ylquinoline
CID 142561442
5-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]-2-methylpyridazin-3-one
CID 53204011
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 91952359
1-(6-fluoroquinolin-4-yl)piperidine-2-carboxylic acid
CID 71563717
1-(6-fluoroquinolin-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 91952252
1-(6-fluoroquinolin-4-yl)-N-(2-methyl-3-oxo-1H-isoindol-5-yl)piperidine-3-carboxamide
CID 91952242
3,4-dihydro-1H-isoquinolin-2-yl-[1-[2-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-3-yl]methanone
CID 91951959
(3R)-1-(6-fluoroquinolin-4-yl)pyrrolidin-3-amine
CID 66954813
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 91952391
3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 1400992

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]methanone (CID 91952255) is 3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]methanone is O=C(C1CCCN(c2ccnc3ccc(F)cc23)C1)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]methanone?
The InChIKey is HUITXDOJRDCPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O/c25-20-7-8-22-21(14-20)23(9-11-26-22)27-12-3-6-19(16-27)24(29)28-13-10-17-4-1-2-5-18(17)15-28/h1-2,4-5,7-9,11,14,19H,3,6,10,12-13,15-16H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]methanone has a molecular weight of 389.47 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(6-fluoroquinolin-4-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 91952255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).