(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone

C27H27N3O4 — CID 42093801

About (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone (PubChem CID 42093801) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone.

Molecular Properties

• Compound Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
• PubChem CID: 42093801
• Molecular Formula: C27H27N3O4
• Molecular Weight: 457.53 g/mol
• Exact Mass: 457.20
• IUPAC Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
• SMILES: COc1cc2c(cc1OC)CN(C(=O)c1ccc(OCc3cn4cccc(C)c4n3)cc1)CC2
• InChI: InChI=1S/C27H27N3O4/c1-18-5-4-11-29-16-22(28-26(18)29)17-34-23-8-6-19(7-9-23)27(31)30-12-10-20-13-24(32-2)25(33-3)14-21(20)15-30/h4-9,11,13-14,16H,10,12,15,17H2,1-3H3
• InChIKey: YJJPPDJCZXINSL-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 65.30 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.53
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone?

The IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone (CID 42093801) is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone.

What is the SMILES notation for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone?

The canonical SMILES for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone is COc1cc2c(cc1OC)CN(C(=O)c1ccc(OCc3cn4cccc(C)c4n3)cc1)CC2.

What is the InChIKey of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone?

The InChIKey is YJJPPDJCZXINSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-18-5-4-11-29-16-22(28-26(18)29)17-34-23-8-6-19(7-9-23)27(31)30-12-10-20-13-24(32-2)25(33-3)14-21(20)15-30/h4-9,11,13-14,16H,10,12,15,17H2,1-3H3.

What are the key properties of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone?

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone has a molecular weight of 457.53 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone is sourced from PubChem (CID 42093801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).