[(4aS,6S,8aR)-6-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-yl]methanol

C19H26N4O2 — CID 68848241

IUPAC[(4aS,6S,8aR)-6-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-yl]methanol
SMILESCOc1ccc2nccc(N3CC[C@H]4C[C@@H](N)CC[C@]4(CO)C3)c2n1
InChIInChI=1S/C19H26N4O2/c1-25-17-3-2-15-18(22-17)16(5-8-21-15)23-9-6-13-10-14(20)4-7-19(13,11-23)12-24/h2-3,5,8,13-14,24H,4,6-7,9-12,20H2,1H3/t13-,14-,19+/m0/s1
InChIKeyDIANYEJTVHQUMK-CKFHNAJUSA-N
MW342.44 g/mol
LogP1.95
Rot. Bonds3

About [(4aS,6S,8aR)-6-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-yl]methanol

[(4aS,6S,8aR)-6-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-yl]methanol (PubChem CID 68848241) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is [(4aS,6S,8aR)-6-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-yl]methanol.

Molecular Properties

Compound Name[(4aS,6S,8aR)-6-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-yl]methanol
PubChem CID68848241
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name[(4aS,6S,8aR)-6-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-yl]methanol
SMILESCOc1ccc2nccc(N3CC[C@H]4C[C@@H](N)CC[C@]4(CO)C3)c2n1
InChIInChI=1S/C19H26N4O2/c1-25-17-3-2-15-18(22-17)16(5-8-21-15)23-9-6-13-10-14(20)4-7-19(13,11-23)12-24/h2-3,5,8,13-14,24H,4,6-7,9-12,20H2,1H3/t13-,14-,19+/m0/s1
InChIKeyDIANYEJTVHQUMK-CKFHNAJUSA-N
XLogP1.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(4aS,6S,8aR)-6-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4aS,6S,8aR)-6-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-yl]methanol?
The IUPAC name of [(4aS,6S,8aR)-6-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-yl]methanol (CID 68848241) is [(4aS,6S,8aR)-6-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-yl]methanol.
What is the SMILES notation for [(4aS,6S,8aR)-6-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-yl]methanol?
The canonical SMILES for [(4aS,6S,8aR)-6-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-yl]methanol is COc1ccc2nccc(N3CC[C@H]4C[C@@H](N)CC[C@]4(CO)C3)c2n1.
What is the InChIKey of [(4aS,6S,8aR)-6-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-yl]methanol?
The InChIKey is DIANYEJTVHQUMK-CKFHNAJUSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-25-17-3-2-15-18(22-17)16(5-8-21-15)23-9-6-13-10-14(20)4-7-19(13,11-23)12-24/h2-3,5,8,13-14,24H,4,6-7,9-12,20H2,1H3/t13-,14-,19+/m0/s1.
What are the key properties of [(4aS,6S,8aR)-6-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-yl]methanol?
[(4aS,6S,8aR)-6-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-yl]methanol has a molecular weight of 342.44 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,6S,8aR)-6-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)-1,3,4,4a,5,6,7,8-octahydroisoquinolin-8a-yl]methanol is sourced from PubChem (CID 68848241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).