6,8-dimethoxy-2-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one

C22H25N2O3+ — CID 3340738

IUPAC6,8-dimethoxy-2-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one
SMILESCOc1cc(OC)c2[nH]c(C)c(C[NH+]3CCc4ccccc4C3)c(=O)c2c1
InChIInChI=1S/C22H24N2O3/c1-14-19(13-24-9-8-15-6-4-5-7-16(15)12-24)22(25)18-10-17(26-2)11-20(27-3)21(18)23-14/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,23,25)/p+1
InChIKeyIDJVRDHDPAPUKC-UHFFFAOYSA-O
MW365.45 g/mol
LogP1.99
Rot. Bonds4

About 6,8-dimethoxy-2-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one

6,8-dimethoxy-2-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one (PubChem CID 3340738) has the molecular formula C22H25N2O3+ and a molecular weight of 365.45 g/mol. Its IUPAC name is 6,8-dimethoxy-2-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name6,8-dimethoxy-2-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one
PubChem CID3340738
Molecular FormulaC22H25N2O3+
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name6,8-dimethoxy-2-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one
SMILESCOc1cc(OC)c2[nH]c(C)c(C[NH+]3CCc4ccccc4C3)c(=O)c2c1
InChIInChI=1S/C22H24N2O3/c1-14-19(13-24-9-8-15-6-4-5-7-16(15)12-24)22(25)18-10-17(26-2)11-20(27-3)21(18)23-14/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,23,25)/p+1
InChIKeyIDJVRDHDPAPUKC-UHFFFAOYSA-O
XLogP1.99
TPSA55.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6,8-dimethoxy-2-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-2-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one?
The IUPAC name of 6,8-dimethoxy-2-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one (CID 3340738) is 6,8-dimethoxy-2-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one.
What is the SMILES notation for 6,8-dimethoxy-2-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one?
The canonical SMILES for 6,8-dimethoxy-2-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one is COc1cc(OC)c2[nH]c(C)c(C[NH+]3CCc4ccccc4C3)c(=O)c2c1.
What is the InChIKey of 6,8-dimethoxy-2-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one?
The InChIKey is IDJVRDHDPAPUKC-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H24N2O3/c1-14-19(13-24-9-8-15-6-4-5-7-16(15)12-24)22(25)18-10-17(26-2)11-20(27-3)21(18)23-14/h4-7,10-11H,8-9,12-13H2,1-3H3,(H,23,25)/p+1.
What are the key properties of 6,8-dimethoxy-2-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one?
6,8-dimethoxy-2-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one has a molecular weight of 365.45 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-2-methyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1H-quinolin-4-one is sourced from PubChem (CID 3340738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).