(5-methoxy-2-pyridinyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone

C23H23N3O4 — CID 156525318

IUPAC(5-methoxy-2-pyridinyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCOc1ccc(COc2ccc3c(c2)CN(C(=O)c2ccc(OC)cn2)CC3)nc1
InChIInChI=1S/C23H23N3O4/c1-28-20-6-4-18(24-12-20)15-30-19-5-3-16-9-10-26(14-17(16)11-19)23(27)22-8-7-21(29-2)13-25-22/h3-8,11-13H,9-10,14-15H2,1-2H3
InChIKeyHTJJDBQHQVTEKH-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.27
Rot. Bonds6

About (5-methoxy-2-pyridinyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone

(5-methoxy-2-pyridinyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 156525318) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is (5-methoxy-2-pyridinyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name(5-methoxy-2-pyridinyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID156525318
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name(5-methoxy-2-pyridinyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCOc1ccc(COc2ccc3c(c2)CN(C(=O)c2ccc(OC)cn2)CC3)nc1
InChIInChI=1S/C23H23N3O4/c1-28-20-6-4-18(24-12-20)15-30-19-5-3-16-9-10-26(14-17(16)11-19)23(27)22-8-7-21(29-2)13-25-22/h3-8,11-13H,9-10,14-15H2,1-2H3
InChIKeyHTJJDBQHQVTEKH-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

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-pyridinyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of (5-methoxy-2-pyridinyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 156525318) is (5-methoxy-2-pyridinyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for (5-methoxy-2-pyridinyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for (5-methoxy-2-pyridinyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone is COc1ccc(COc2ccc3c(c2)CN(C(=O)c2ccc(OC)cn2)CC3)nc1.
What is the InChIKey of (5-methoxy-2-pyridinyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is HTJJDBQHQVTEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-28-20-6-4-18(24-12-20)15-30-19-5-3-16-9-10-26(14-17(16)11-19)23(27)22-8-7-21(29-2)13-25-22/h3-8,11-13H,9-10,14-15H2,1-2H3.
What are the key properties of (5-methoxy-2-pyridinyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
(5-methoxy-2-pyridinyl)-[7-[(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 (5-methoxy-2-pyridinyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 156525318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).