3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-ethoxy-1H-quinolin-2-one

C22H24N2O4 — CID 51687962

IUPAC3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-ethoxy-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c([C@@H]3NCCc4cc(OC)c(OC)cc43)cc2c1
InChIInChI=1S/C22H24N2O4/c1-4-28-15-5-6-18-14(9-15)10-17(22(25)24-18)21-16-12-20(27-3)19(26-2)11-13(16)7-8-23-21/h5-6,9-12,21,23H,4,7-8H2,1-3H3,(H,24,25)/t21-/m1/s1
InChIKeyPHAMSKNDBCXSEY-OAQYLSRUSA-N
MW380.44 g/mol
LogP3.18
Rot. Bonds5

About 3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-ethoxy-1H-quinolin-2-one

3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-ethoxy-1H-quinolin-2-one (PubChem CID 51687962) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-ethoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-ethoxy-1H-quinolin-2-one
PubChem CID51687962
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-ethoxy-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c([C@@H]3NCCc4cc(OC)c(OC)cc43)cc2c1
InChIInChI=1S/C22H24N2O4/c1-4-28-15-5-6-18-14(9-15)10-17(22(25)24-18)21-16-12-20(27-3)19(26-2)11-13(16)7-8-23-21/h5-6,9-12,21,23H,4,7-8H2,1-3H3,(H,24,25)/t21-/m1/s1
InChIKeyPHAMSKNDBCXSEY-OAQYLSRUSA-N
XLogP3.18
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-ethoxy-1H-quinolin-2-one with MolForge

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Related Compounds

3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-methyl-1H-quinolin-2-one
CID 51687943
3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6,7-dimethyl-1H-quinolin-2-one
CID 43817529
3-[(1S)-2-acetyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-6-ethoxy-1H-quinolin-2-one
CID 51686902
1-(2,5-dimethoxyphenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 5145855
1-(4,5-dimethoxy-2-nitrophenyl)-6-ethoxy-1,2,3,4-tetrahydroisoquinoline
CID 4037737
7-ethoxy-6-methoxy-1-(2,4,5-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 5135970
(1R)-6,7-diethoxy-1-(4-ethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 672677
6-ethoxy-1-(4-ethoxy-3-methoxyphenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 4318685
(1S)-1-(3,4-dimethoxyphenyl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 729177
1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3351200
6-ethoxy-1-(2,4,5-trimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3583732
6,7-diethoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3994992

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-ethoxy-1H-quinolin-2-one?
The IUPAC name of 3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-ethoxy-1H-quinolin-2-one (CID 51687962) is 3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-ethoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-ethoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-ethoxy-1H-quinolin-2-one is CCOc1ccc2[nH]c(=O)c([C@@H]3NCCc4cc(OC)c(OC)cc43)cc2c1.
What is the InChIKey of 3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-ethoxy-1H-quinolin-2-one?
The InChIKey is PHAMSKNDBCXSEY-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-4-28-15-5-6-18-14(9-15)10-17(22(25)24-18)21-16-12-20(27-3)19(26-2)11-13(16)7-8-23-21/h5-6,9-12,21,23H,4,7-8H2,1-3H3,(H,24,25)/t21-/m1/s1.
What are the key properties of 3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-ethoxy-1H-quinolin-2-one?
3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-ethoxy-1H-quinolin-2-one has a molecular weight of 380.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-ethoxy-1H-quinolin-2-one is sourced from PubChem (CID 51687962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).