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

C21H22N2O3 — CID 51687943

IUPAC3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-methyl-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)[C@H](c1cc3cc(C)ccc3[nH]c1=O)NCC2
InChIInChI=1S/C21H22N2O3/c1-12-4-5-17-14(8-12)9-16(21(24)23-17)20-15-11-19(26-3)18(25-2)10-13(15)6-7-22-20/h4-5,8-11,20,22H,6-7H2,1-3H3,(H,23,24)/t20-/m1/s1
InChIKeyZYZWRFWJXRDQRK-HXUWFJFHSA-N
MW350.42 g/mol
LogP3.09
Rot. Bonds3

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

3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-methyl-1H-quinolin-2-one (PubChem CID 51687943) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-methyl-1H-quinolin-2-one
PubChem CID51687943
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-methyl-1H-quinolin-2-one
SMILESCOc1cc2c(cc1OC)[C@H](c1cc3cc(C)ccc3[nH]c1=O)NCC2
InChIInChI=1S/C21H22N2O3/c1-12-4-5-17-14(8-12)9-16(21(24)23-17)20-15-11-19(26-3)18(25-2)10-13(15)6-7-22-20/h4-5,8-11,20,22H,6-7H2,1-3H3,(H,23,24)/t20-/m1/s1
InChIKeyZYZWRFWJXRDQRK-HXUWFJFHSA-N
XLogP3.09
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6,7-dimethyl-1H-quinolin-2-one
CID 43817529
3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-ethoxy-1H-quinolin-2-one
CID 51687962
3-[(1R)-2-(cyclobutanecarbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]-6-methyl-1H-quinolin-2-one
CID 51687023
3-[(1S)-6,7-dimethoxy-2-(morpholine-4-carbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-6-methyl-1H-quinolin-2-one
CID 51687504
6,7-diethoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3994992
5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-1-(3-methylphenyl)pyrimidine-2,4-dione
CID 3326759
6,7-dimethoxy-1-(2-methoxy-3,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3885623
N-[2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]phenyl]-4-methylbenzenesulfonamide
CID 10717871
(1S)-N-(3-ethoxypropyl)-6,7-dimethoxy-1-(6-methyl-2-oxo-1H-quinolin-3-yl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CID 51687063
1-(5-bromo-2-methoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3969108
3-[6,7-dimethoxy-2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]-7-methyl-1H-quinolin-2-one
CID 43817042
6,7-dimethoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 5138139

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-methyl-1H-quinolin-2-one (CID 51687943) is 3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-methyl-1H-quinolin-2-one is COc1cc2c(cc1OC)[C@H](c1cc3cc(C)ccc3[nH]c1=O)NCC2.
What is the InChIKey of 3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-methyl-1H-quinolin-2-one?
The InChIKey is ZYZWRFWJXRDQRK-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-12-4-5-17-14(8-12)9-16(21(24)23-17)20-15-11-19(26-3)18(25-2)10-13(15)6-7-22-20/h4-5,8-11,20,22H,6-7H2,1-3H3,(H,23,24)/t20-/m1/s1.
What are the key properties of 3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-methyl-1H-quinolin-2-one?
3-[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-6-methyl-1H-quinolin-2-one has a molecular weight of 350.42 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 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-methyl-1H-quinolin-2-one is sourced from PubChem (CID 51687943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).