(6-methoxy-3-pyridinyl)-[5-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone

C23H23N3O4 — CID 156525322

IUPAC(6-methoxy-3-pyridinyl)-[5-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCOc1ccc(COc2cccc3c2CCN(C(=O)c2ccc(OC)nc2)C3)nc1
InChIInChI=1S/C23H23N3O4/c1-28-19-8-7-18(24-13-19)15-30-21-5-3-4-17-14-26(11-10-20(17)21)23(27)16-6-9-22(29-2)25-12-16/h3-9,12-13H,10-11,14-15H2,1-2H3
InChIKeyXABXIEVCHAAMHD-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.27
Rot. Bonds6

About (6-methoxy-3-pyridinyl)-[5-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone

(6-methoxy-3-pyridinyl)-[5-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 156525322) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is (6-methoxy-3-pyridinyl)-[5-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-3-pyridinyl)-[5-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID156525322
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name(6-methoxy-3-pyridinyl)-[5-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCOc1ccc(COc2cccc3c2CCN(C(=O)c2ccc(OC)nc2)C3)nc1
InChIInChI=1S/C23H23N3O4/c1-28-19-8-7-18(24-13-19)15-30-21-5-3-4-17-14-26(11-10-20(17)21)23(27)16-6-9-22(29-2)25-12-16/h3-9,12-13H,10-11,14-15H2,1-2H3
InChIKeyXABXIEVCHAAMHD-UHFFFAOYSA-N
XLogP3.27
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6-methoxy-3-pyridinyl)-[5-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[3-[(5-methoxy-2-pyridinyl)methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(6-prop-2-enoxy-3-pyridinyl)methanone
CID 158139167
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxy-3-pyridinyl)methanone
CID 41310564
[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone
CID 156525010
(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 136522334
7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl chloride;hydrochloride
CID 162459106
3,4-dihydro-1H-isoquinolin-2-yl-[6-(2,4-dimethoxyanilino)-3-pyridinyl]methanone
CID 109158459
(4-methoxyphenyl)-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 25475529
tert-butyl 5-[(5-carbamoyl-2-pyridinyl)oxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 59730065
1-[7-(5-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CID 172889249
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenylmethoxyphenyl)methanone
CID 27515102
(6-methoxy-3-pyridinyl)-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 53185464

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3-pyridinyl)-[5-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of (6-methoxy-3-pyridinyl)-[5-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 156525322) is (6-methoxy-3-pyridinyl)-[5-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for (6-methoxy-3-pyridinyl)-[5-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for (6-methoxy-3-pyridinyl)-[5-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone is COc1ccc(COc2cccc3c2CCN(C(=O)c2ccc(OC)nc2)C3)nc1.
What is the InChIKey of (6-methoxy-3-pyridinyl)-[5-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is XABXIEVCHAAMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-28-19-8-7-18(24-13-19)15-30-21-5-3-4-17-14-26(11-10-20(17)21)23(27)16-6-9-22(29-2)25-12-16/h3-9,12-13H,10-11,14-15H2,1-2H3.
What are the key properties of (6-methoxy-3-pyridinyl)-[5-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
(6-methoxy-3-pyridinyl)-[5-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 405.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3-pyridinyl)-[5-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 156525322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).