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

C23H23N3O3 — CID 109158459

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,4-dimethoxyanilino)-3-pyridinyl]methanone
SMILESCOc1ccc(Nc2ccc(C(=O)N3CCc4ccccc4C3)cn2)c(OC)c1
InChIInChI=1S/C23H23N3O3/c1-28-19-8-9-20(21(13-19)29-2)25-22-10-7-17(14-24-22)23(27)26-12-11-16-5-3-4-6-18(16)15-26/h3-10,13-14H,11-12,15H2,1-2H3,(H,24,25)
InChIKeyMBJZQAMJQLFOJN-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.04
Rot. Bonds5

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

3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,4-dimethoxyanilino)-3-pyridinyl]methanone (PubChem CID 109158459) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,4-dimethoxyanilino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,4-dimethoxyanilino)-3-pyridinyl]methanone
PubChem CID109158459
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,4-dimethoxyanilino)-3-pyridinyl]methanone
SMILESCOc1ccc(Nc2ccc(C(=O)N3CCc4ccccc4C3)cn2)c(OC)c1
InChIInChI=1S/C23H23N3O3/c1-28-19-8-9-20(21(13-19)29-2)25-22-10-7-17(14-24-22)23(27)26-12-11-16-5-3-4-6-18(16)15-26/h3-10,13-14H,11-12,15H2,1-2H3,(H,24,25)
InChIKeyMBJZQAMJQLFOJN-UHFFFAOYSA-N
XLogP4.04
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,5-dimethylanilino)-3-pyridinyl]methanone
CID 109158432
3,4-dihydro-1H-isoquinolin-2-yl-[6-(3,5-dimethylanilino)-3-pyridinyl]methanone
CID 109158434
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone
CID 109160970
N-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109161067
3,4-dihydro-1H-isoquinolin-2-yl-[2-(3-methoxyanilino)-4-pyridinyl]methanone
CID 109172363
3,4-dihydro-2H-quinolin-1-yl-[5-(2,4-dimethoxyanilino)pyrazin-2-yl]methanone
CID 109290596
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)pyrimidin-4-amine
CID 112894395
6-(2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109163030
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone
CID 110726074
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethoxyphenyl)azetidine-1-carboxamide
CID 121153630
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[6-(3-methylbutylamino)-3-pyridinyl]methanone
CID 109160964
3,4-dihydro-1H-isoquinolin-2-yl-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone
CID 38383791

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,4-dimethoxyanilino)-3-pyridinyl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,4-dimethoxyanilino)-3-pyridinyl]methanone (CID 109158459) is 3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,4-dimethoxyanilino)-3-pyridinyl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,4-dimethoxyanilino)-3-pyridinyl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,4-dimethoxyanilino)-3-pyridinyl]methanone is COc1ccc(Nc2ccc(C(=O)N3CCc4ccccc4C3)cn2)c(OC)c1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,4-dimethoxyanilino)-3-pyridinyl]methanone?
The InChIKey is MBJZQAMJQLFOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-28-19-8-9-20(21(13-19)29-2)25-22-10-7-17(14-24-22)23(27)26-12-11-16-5-3-4-6-18(16)15-26/h3-10,13-14H,11-12,15H2,1-2H3,(H,24,25).
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,4-dimethoxyanilino)-3-pyridinyl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,4-dimethoxyanilino)-3-pyridinyl]methanone has a molecular weight of 389.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,4-dimethoxyanilino)-3-pyridinyl]methanone is sourced from PubChem (CID 109158459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).