(4-methoxyphenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C23H22N2O2 — CID 110289077

IUPAC(4-methoxyphenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCOc1ccc(C(=O)N2CCc3cc(C)ccc3C2c2cccnc2)cc1
InChIInChI=1S/C23H22N2O2/c1-16-5-10-21-18(14-16)11-13-25(22(21)19-4-3-12-24-15-19)23(26)17-6-8-20(27-2)9-7-17/h3-10,12,14-15,22H,11,13H2,1-2H3
InChIKeyOAMBEPNSIIBMIL-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.19
Rot. Bonds3

About (4-methoxyphenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

(4-methoxyphenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 110289077) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is (4-methoxyphenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID110289077
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name(4-methoxyphenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCOc1ccc(C(=O)N2CCc3cc(C)ccc3C2c2cccnc2)cc1
InChIInChI=1S/C23H22N2O2/c1-16-5-10-21-18(14-16)11-13-25(22(21)19-4-3-12-24-15-19)23(26)17-6-8-20(27-2)9-7-17/h3-10,12,14-15,22H,11,13H2,1-2H3
InChIKeyOAMBEPNSIIBMIL-UHFFFAOYSA-N
XLogP4.19
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methoxyphenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-methoxyphenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400524
(3-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110289095
(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 110307925
(2-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110289094
[1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone
CID 110288981
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110628207
6-methyl-N-(2-methylpropyl)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110628203
(2-methoxyphenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400522
pyridin-3-yl-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400545
(6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-pyrazol-5-yl)methanone
CID 86286576
[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(4-methoxyphenyl)methanone
CID 4750194
[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-(3-methoxyphenyl)methanone
CID 992902

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 110289077) is (4-methoxyphenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is COc1ccc(C(=O)N2CCc3cc(C)ccc3C2c2cccnc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is OAMBEPNSIIBMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-16-5-10-21-18(14-16)11-13-25(22(21)19-4-3-12-24-15-19)23(26)17-6-8-20(27-2)9-7-17/h3-10,12,14-15,22H,11,13H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(4-methoxyphenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 358.44 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 110289077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).