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

C24H24N2O4 — CID 156525019

IUPAC(4-methoxyphenyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCOc1ccc(C(=O)N2CCc3ccc(OCc4ccc(OC)cn4)cc3C2)cc1
InChIInChI=1S/C24H24N2O4/c1-28-21-7-4-18(5-8-21)24(27)26-12-11-17-3-9-22(13-19(17)15-26)30-16-20-6-10-23(29-2)14-25-20/h3-10,13-14H,11-12,15-16H2,1-2H3
InChIKeyUXSYKZBEKUGYHG-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.88
Rot. Bonds6

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

(4-methoxyphenyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 156525019) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is (4-methoxyphenyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID156525019
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name(4-methoxyphenyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCOc1ccc(C(=O)N2CCc3ccc(OCc4ccc(OC)cn4)cc3C2)cc1
InChIInChI=1S/C24H24N2O4/c1-28-21-7-4-18(5-8-21)24(27)26-12-11-17-3-9-22(13-19(17)15-26)30-16-20-6-10-23(29-2)14-25-20/h3-10,13-14H,11-12,15-16H2,1-2H3
InChIKeyUXSYKZBEKUGYHG-UHFFFAOYSA-N
XLogP3.88
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 156525019) is (4-methoxyphenyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone is COc1ccc(C(=O)N2CCc3ccc(OCc4ccc(OC)cn4)cc3C2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is UXSYKZBEKUGYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-28-21-7-4-18(5-8-21)24(27)26-12-11-17-3-9-22(13-19(17)15-26)30-16-20-6-10-23(29-2)14-25-20/h3-10,13-14H,11-12,15-16H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
(4-methoxyphenyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 404.47 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 156525019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).