[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-5-ylmethanone

C24H25N3O — CID 95718259

IUPAC[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-5-ylmethanone
SMILESO=C(c1cccc2ncccc12)N1CCC[C@@H](N2CCc3ccccc3C2)C1
InChIInChI=1S/C24H25N3O/c28-24(22-9-3-11-23-21(22)10-4-13-25-23)27-14-5-8-20(17-27)26-15-12-18-6-1-2-7-19(18)16-26/h1-4,6-7,9-11,13,20H,5,8,12,14-17H2/t20-/m1/s1
InChIKeySTGZZULSNOACIU-HXUWFJFHSA-N
MW371.48 g/mol
LogP3.90
Rot. Bonds2

About [(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-5-ylmethanone

[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-5-ylmethanone (PubChem CID 95718259) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is [(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-5-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-5-ylmethanone
PubChem CID95718259
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-5-ylmethanone
SMILESO=C(c1cccc2ncccc12)N1CCC[C@@H](N2CCc3ccccc3C2)C1
InChIInChI=1S/C24H25N3O/c28-24(22-9-3-11-23-21(22)10-4-13-25-23)27-14-5-8-20(17-27)26-15-12-18-6-1-2-7-19(18)16-26/h1-4,6-7,9-11,13,20H,5,8,12,14-17H2/t20-/m1/s1
InChIKeySTGZZULSNOACIU-HXUWFJFHSA-N
XLogP3.90
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-5-ylmethanone with MolForge

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Related Compounds

[3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone
CID 71934250
5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
CID 56883706
3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-1-ethyl-6-methylpyridin-2-one
CID 56891876
(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone
CID 80661755
(2-chlorophenyl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone
CID 121017117
(3-ethyl-4-hydroxypiperidin-1-yl)-quinolin-5-ylmethanone
CID 114509956
[(1R)-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-quinolin-5-ylmethanone
CID 99778060
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-quinolin-5-ylmethanone
CID 125002735
4-(quinoline-5-carbonyl)-1,4-diazepan-2-one
CID 62898516
[3-(2-aminoethyl)pyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 114802065
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 70711968
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 146086866

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-5-ylmethanone?
The IUPAC name of [(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-5-ylmethanone (CID 95718259) is [(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-5-ylmethanone.
What is the SMILES notation for [(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-5-ylmethanone?
The canonical SMILES for [(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-5-ylmethanone is O=C(c1cccc2ncccc12)N1CCC[C@@H](N2CCc3ccccc3C2)C1.
What is the InChIKey of [(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-5-ylmethanone?
The InChIKey is STGZZULSNOACIU-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25N3O/c28-24(22-9-3-11-23-21(22)10-4-13-25-23)27-14-5-8-20(17-27)26-15-12-18-6-1-2-7-19(18)16-26/h1-4,6-7,9-11,13,20H,5,8,12,14-17H2/t20-/m1/s1.
What are the key properties of [(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-5-ylmethanone?
[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-5-ylmethanone has a molecular weight of 371.48 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-quinolin-5-ylmethanone is sourced from PubChem (CID 95718259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).