N-(2,5-dimethoxyphenyl)-N-ethyl-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide

C23H26N2O6 — CID 3244223

IUPACN-(2,5-dimethoxyphenyl)-N-ethyl-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCCN(C(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12)c1cc(OC)ccc1OC
InChIInChI=1S/C23H26N2O6/c1-7-25(18-10-14(28-3)8-9-19(18)29-4)23(27)17-13-24(2)22(26)16-12-21(31-6)20(30-5)11-15(16)17/h8-13H,7H2,1-6H3
InChIKeyMTBTZNBKXXWOAK-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.24
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-N-ethyl-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide

N-(2,5-dimethoxyphenyl)-N-ethyl-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide (PubChem CID 3244223) has the molecular formula C23H26N2O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-N-ethyl-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-N-ethyl-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
PubChem CID3244223
Molecular FormulaC23H26N2O6
Molecular Weight426.47 g/mol
Exact Mass426.18
IUPAC NameN-(2,5-dimethoxyphenyl)-N-ethyl-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
SMILESCCN(C(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12)c1cc(OC)ccc1OC
InChIInChI=1S/C23H26N2O6/c1-7-25(18-10-14(28-3)8-9-19(18)29-4)23(27)17-13-24(2)22(26)16-12-21(31-6)20(30-5)11-15(16)17/h8-13H,7H2,1-6H3
InChIKeyMTBTZNBKXXWOAK-UHFFFAOYSA-N
XLogP3.24
TPSA79.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide
CID 22334277
N-cyclohexyl-6,7-dimethoxy-N,2-dimethyl-1-oxoisoquinoline-4-carboxamide
CID 15997545
N-[3-(dipropylamino)propyl]-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 22422524
N-(2,5-dimethoxyphenyl)-N,5-diethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865358
N-(3-chlorophenyl)-N,2-diethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 22334282
N-ethyl-2-methyl-1-oxo-N-phenylisoquinoline-4-carboxamide
CID 22334703
N-(2-ethoxyphenyl)-N-ethyl-2-(3-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide
CID 22549861
N-ethyl-2-(4-methoxyphenyl)-N-(2-methylphenyl)-1-oxoisoquinoline-4-carboxamide
CID 22549573
N-(2,5-dimethoxyphenyl)-N-ethyl-7-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 131841617
N-(2,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 15992906
N-[2-(N-acetyl-2,5-dimethoxyanilino)ethyl]butanamide
CID 113061147
4-ethyl-6-methoxy-2-methylisoquinolin-1-one
CID 115063438

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-N-ethyl-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-N-ethyl-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide (CID 3244223) is N-(2,5-dimethoxyphenyl)-N-ethyl-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-N-ethyl-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-N-ethyl-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide is CCN(C(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12)c1cc(OC)ccc1OC.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-N-ethyl-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
The InChIKey is MTBTZNBKXXWOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6/c1-7-25(18-10-14(28-3)8-9-19(18)29-4)23(27)17-13-24(2)22(26)16-12-21(31-6)20(30-5)11-15(16)17/h8-13H,7H2,1-6H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-N-ethyl-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide?
N-(2,5-dimethoxyphenyl)-N-ethyl-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-N-ethyl-6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carboxamide is sourced from PubChem (CID 3244223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).