(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone

C17H24N2O5 — CID 120919943

IUPAC(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
SMILESCOc1ccc(OC)c2c1CN(C(=O)[C@H]1NCCO[C@@H]1C)CC2O
InChIInChI=1S/C17H24N2O5/c1-10-16(18-6-7-24-10)17(21)19-8-11-13(22-2)4-5-14(23-3)15(11)12(20)9-19/h4-5,10,12,16,18,20H,6-9H2,1-3H3/t10-,12?,16+/m1/s1
InChIKeyRCFNFRLUZGGRIC-BKSIRQEFSA-N
MW336.39 g/mol
LogP0.46
Rot. Bonds3

About (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone

(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone (PubChem CID 120919943) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone.

Molecular Properties

Compound Name(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
PubChem CID120919943
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone
SMILESCOc1ccc(OC)c2c1CN(C(=O)[C@H]1NCCO[C@@H]1C)CC2O
InChIInChI=1S/C17H24N2O5/c1-10-16(18-6-7-24-10)17(21)19-8-11-13(22-2)4-5-14(23-3)15(11)12(20)9-19/h4-5,10,12,16,18,20H,6-9H2,1-3H3/t10-,12?,16+/m1/s1
InChIKeyRCFNFRLUZGGRIC-BKSIRQEFSA-N
XLogP0.46
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The IUPAC name of (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone (CID 120919943) is (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone.
What is the SMILES notation for (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The canonical SMILES for (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone is COc1ccc(OC)c2c1CN(C(=O)[C@H]1NCCO[C@@H]1C)CC2O.
What is the InChIKey of (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
The InChIKey is RCFNFRLUZGGRIC-BKSIRQEFSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-10-16(18-6-7-24-10)17(21)19-8-11-13(22-2)4-5-14(23-3)15(11)12(20)9-19/h4-5,10,12,16,18,20H,6-9H2,1-3H3/t10-,12?,16+/m1/s1.
What are the key properties of (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone?
(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone has a molecular weight of 336.39 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2R,3S)-2-methylmorpholin-3-yl]methanone is sourced from PubChem (CID 120919943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).