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

C26H23N3O — CID 110307925

IUPAC(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyrrol-1-ylphenyl)methanone
SMILESCc1ccc2c(c1)CCN(C(=O)c1cccc(-n3cccc3)c1)C2c1cccnc1
InChIInChI=1S/C26H23N3O/c1-19-9-10-24-20(16-19)11-15-29(25(24)22-7-5-12-27-18-22)26(30)21-6-4-8-23(17-21)28-13-2-3-14-28/h2-10,12-14,16-18,25H,11,15H2,1H3
InChIKeyABJGEHXNCMTKNX-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.97
Rot. Bonds3

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

(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyrrol-1-ylphenyl)methanone (PubChem CID 110307925) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is (6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyrrol-1-ylphenyl)methanone
PubChem CID110307925
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC Name(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyrrol-1-ylphenyl)methanone
SMILESCc1ccc2c(c1)CCN(C(=O)c1cccc(-n3cccc3)c1)C2c1cccnc1
InChIInChI=1S/C26H23N3O/c1-19-9-10-24-20(16-19)11-15-29(25(24)22-7-5-12-27-18-22)26(30)21-6-4-8-23(17-21)28-13-2-3-14-28/h2-10,12-14,16-18,25H,11,15H2,1H3
InChIKeyABJGEHXNCMTKNX-UHFFFAOYSA-N
XLogP4.97
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

(3-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110289095
(4-methoxyphenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110289077
(2-chlorophenyl)-(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110289094
pyridin-3-yl-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400545
(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
(4-methoxyphenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400524
(2-methoxyphenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400522
(2-fluorophenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400518
[1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone
CID 110288981
1-propyl-7-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 89475574
(6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-pyrazol-5-yl)methanone
CID 86286576

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyrrol-1-ylphenyl)methanone?
The IUPAC name of (6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyrrol-1-ylphenyl)methanone (CID 110307925) is (6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for (6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for (6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyrrol-1-ylphenyl)methanone is Cc1ccc2c(c1)CCN(C(=O)c1cccc(-n3cccc3)c1)C2c1cccnc1.
What is the InChIKey of (6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyrrol-1-ylphenyl)methanone?
The InChIKey is ABJGEHXNCMTKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c1-19-9-10-24-20(16-19)11-15-29(25(24)22-7-5-12-27-18-22)26(30)21-6-4-8-23(17-21)28-13-2-3-14-28/h2-10,12-14,16-18,25H,11,15H2,1H3.
What are the key properties of (6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyrrol-1-ylphenyl)methanone?
(6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyrrol-1-ylphenyl)methanone has a molecular weight of 393.49 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 110307925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).