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

C22H21N3O3 — CID 156525010

IUPAC[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone
SMILESCOc1ccc(COc2ccc3c(c2)CN(C(=O)c2cccnc2)CC3)nc1
InChIInChI=1S/C22H21N3O3/c1-27-21-7-5-19(24-13-21)15-28-20-6-4-16-8-10-25(14-18(16)11-20)22(26)17-3-2-9-23-12-17/h2-7,9,11-13H,8,10,14-15H2,1H3
InChIKeyDSFCJUHQJCSHQN-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.26
Rot. Bonds5

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

[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone (PubChem CID 156525010) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is [7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone
PubChem CID156525010
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone
SMILESCOc1ccc(COc2ccc3c(c2)CN(C(=O)c2cccnc2)CC3)nc1
InChIInChI=1S/C22H21N3O3/c1-27-21-7-5-19(24-13-21)15-28-20-6-4-16-8-10-25(14-18(16)11-20)22(26)17-3-2-9-23-12-17/h2-7,9,11-13H,8,10,14-15H2,1H3
InChIKeyDSFCJUHQJCSHQN-UHFFFAOYSA-N
XLogP3.26
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl chloride;hydrochloride
CID 162459106
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone
CID 47180831
[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone
CID 156794900
[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-methoxy-3-pyridinyl)-[5-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 156525322
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
(3,5-dimethoxyphenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726076
N-[(5-methylfuran-2-yl)methyl]-2-(pyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 70780303
(4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798519
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenylmethoxyphenyl)methanone
CID 27515102
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylmethanone
CID 4839684
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
CID 42093801

Frequently Asked Questions

What is the IUPAC name of [7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone?
The IUPAC name of [7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone (CID 156525010) is [7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone is COc1ccc(COc2ccc3c(c2)CN(C(=O)c2cccnc2)CC3)nc1.
What is the InChIKey of [7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone?
The InChIKey is DSFCJUHQJCSHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-27-21-7-5-19(24-13-21)15-28-20-6-4-16-8-10-25(14-18(16)11-20)22(26)17-3-2-9-23-12-17/h2-7,9,11-13H,8,10,14-15H2,1H3.
What are the key properties of [7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone?
[7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone has a molecular weight of 375.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 156525010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).