(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone

C21H22N4O4 — CID 109160970

About (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone (PubChem CID 109160970) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone
• PubChem CID: 109160970
• Molecular Formula: C21H22N4O4
• Molecular Weight: 394.43 g/mol
• Exact Mass: 394.16
• IUPAC Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone
• SMILES: COc1cc2c(cc1OC)CN(C(=O)c1ccc(Nc3cc(C)on3)nc1)CC2
• InChI: InChI=1S/C21H22N4O4/c1-13-8-20(24-29-13)23-19-5-4-15(11-22-19)21(26)25-7-6-14-9-17(27-2)18(28-3)10-16(14)12-25/h4-5,8-11H,6-7,12H2,1-3H3,(H,22,23,24)
• InChIKey: BULZZOSHIFJXQA-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 89.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.43
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone?

The IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone (CID 109160970) is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone.

What is the SMILES notation for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone?

The canonical SMILES for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone is COc1cc2c(cc1OC)CN(C(=O)c1ccc(Nc3cc(C)on3)nc1)CC2.

What is the InChIKey of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone?

The InChIKey is BULZZOSHIFJXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-13-8-20(24-29-13)23-19-5-4-15(11-22-19)21(26)25-7-6-14-9-17(27-2)18(28-3)10-16(14)12-25/h4-5,8-11H,6-7,12H2,1-3H3,(H,22,23,24).

What are the key properties of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone?

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone has a molecular weight of 394.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-3-pyridinyl]methanone is sourced from PubChem (CID 109160970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).