(4S)-4-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline

C19H23NO4 — CID 67721838

IUPAC(4S)-4-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc([C@@H]2CNCc3c2ccc(OC)c3OC)cc1OC
InChIInChI=1S/C19H23NO4/c1-21-16-7-5-12(9-18(16)23-3)14-10-20-11-15-13(14)6-8-17(22-2)19(15)24-4/h5-9,14,20H,10-11H2,1-4H3/t14-/m0/s1
InChIKeyJMDZQVWWBPAEIM-AWEZNQCLSA-N
MW329.40 g/mol
LogP2.96
Rot. Bonds5

About (4S)-4-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline

(4S)-4-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 67721838) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is (4S)-4-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(4S)-4-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID67721838
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name(4S)-4-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc([C@@H]2CNCc3c2ccc(OC)c3OC)cc1OC
InChIInChI=1S/C19H23NO4/c1-21-16-7-5-12(9-18(16)23-3)14-10-20-11-15-13(14)6-8-17(22-2)19(15)24-4/h5-9,14,20H,10-11H2,1-4H3/t14-/m0/s1
InChIKeyJMDZQVWWBPAEIM-AWEZNQCLSA-N
XLogP2.96
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (4S)-4-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline (CID 67721838) is (4S)-4-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (4S)-4-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (4S)-4-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline is COc1ccc([C@@H]2CNCc3c2ccc(OC)c3OC)cc1OC.
What is the InChIKey of (4S)-4-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is JMDZQVWWBPAEIM-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23NO4/c1-21-16-7-5-12(9-18(16)23-3)14-10-20-11-15-13(14)6-8-17(22-2)19(15)24-4/h5-9,14,20H,10-11H2,1-4H3/t14-/m0/s1.
What are the key properties of (4S)-4-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
(4S)-4-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 329.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 67721838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).