3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-N-propan-2-yl-3,4-dihydroisoquinoline-4-carboxamide

C24H30N2O6 — CID 15997566

IUPAC3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-N-propan-2-yl-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOc1ccc(C2C(C(=O)NC(C)C)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC
InChIInChI=1S/C24H30N2O6/c1-13(2)25-23(27)21-15-11-19(31-6)20(32-7)12-16(15)24(28)26(3)22(21)14-8-9-17(29-4)18(10-14)30-5/h8-13,21-22H,1-7H3,(H,25,27)
InChIKeyZOICDVRFTZBIGP-UHFFFAOYSA-N
MW442.51 g/mol
LogP3.16
Rot. Bonds7

About 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-N-propan-2-yl-3,4-dihydroisoquinoline-4-carboxamide

3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-N-propan-2-yl-3,4-dihydroisoquinoline-4-carboxamide (PubChem CID 15997566) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-N-propan-2-yl-3,4-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-N-propan-2-yl-3,4-dihydroisoquinoline-4-carboxamide
PubChem CID15997566
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC Name3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-N-propan-2-yl-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOc1ccc(C2C(C(=O)NC(C)C)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC
InChIInChI=1S/C24H30N2O6/c1-13(2)25-23(27)21-15-11-19(31-6)20(32-7)12-16(15)24(28)26(3)22(21)14-8-9-17(29-4)18(10-14)30-5/h8-13,21-22H,1-7H3,(H,25,27)
InChIKeyZOICDVRFTZBIGP-UHFFFAOYSA-N
XLogP3.16
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-N-(2-methoxy-5-methylphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 4159110
N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 3574437
(3R,4S)-N-[3-(azepan-1-yl)propyl]-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 92653871
(3S,4S)-3-(3,4-dimethoxyphenyl)-N-[2-(dipropylamino)ethyl]-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 92653880
(3S,4R)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-N-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 92653860
N-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 4165483
(3S,4S)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 98183982
(3S,4S)-3-(3,4-dimethoxyphenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 92854034
(3S,4R)-N-[2-[butyl(ethyl)amino]ethyl]-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 92653879
1-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperidine-4-carboxamide
CID 4159047
N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-3-(4-methylsulfanylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 46506271
(3R,4R)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-4-(4-phenylpiperazine-1-carbonyl)-3,4-dihydroisoquinolin-1-one
CID 98183949

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-N-propan-2-yl-3,4-dihydroisoquinoline-4-carboxamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-N-propan-2-yl-3,4-dihydroisoquinoline-4-carboxamide (CID 15997566) is 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-N-propan-2-yl-3,4-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-N-propan-2-yl-3,4-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-N-propan-2-yl-3,4-dihydroisoquinoline-4-carboxamide is COc1ccc(C2C(C(=O)NC(C)C)c3cc(OC)c(OC)cc3C(=O)N2C)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-N-propan-2-yl-3,4-dihydroisoquinoline-4-carboxamide?
The InChIKey is ZOICDVRFTZBIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6/c1-13(2)25-23(27)21-15-11-19(31-6)20(32-7)12-16(15)24(28)26(3)22(21)14-8-9-17(29-4)18(10-14)30-5/h8-13,21-22H,1-7H3,(H,25,27).
What are the key properties of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-N-propan-2-yl-3,4-dihydroisoquinoline-4-carboxamide?
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-N-propan-2-yl-3,4-dihydroisoquinoline-4-carboxamide has a molecular weight of 442.51 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-N-propan-2-yl-3,4-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 15997566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).