N-(2,4-dimethoxyphenyl)-2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

C28H27N3O4 — CID 53206560

IUPACN-(2,4-dimethoxyphenyl)-2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)C2c3ccccc3C(=O)N(C)C2c2cn(C)c3ccccc23)c(OC)c1
InChIInChI=1S/C28H27N3O4/c1-30-16-21(18-9-7-8-12-23(18)30)26-25(19-10-5-6-11-20(19)28(33)31(26)2)27(32)29-22-14-13-17(34-3)15-24(22)35-4/h5-16,25-26H,1-4H3,(H,29,32)
InChIKeyLPJFPTUMEPMSJU-UHFFFAOYSA-N
MW469.54 g/mol
LogP4.74
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

N-(2,4-dimethoxyphenyl)-2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide (PubChem CID 53206560) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
PubChem CID53206560
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC NameN-(2,4-dimethoxyphenyl)-2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOc1ccc(NC(=O)C2c3ccccc3C(=O)N(C)C2c2cn(C)c3ccccc23)c(OC)c1
InChIInChI=1S/C28H27N3O4/c1-30-16-21(18-9-7-8-12-23(18)30)26-25(19-10-5-6-11-20(19)28(33)31(26)2)27(32)29-22-14-13-17(34-3)15-24(22)35-4/h5-16,25-26H,1-4H3,(H,29,32)
InChIKeyLPJFPTUMEPMSJU-UHFFFAOYSA-N
XLogP4.74
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 143540075
2-methyl-3-(1-methylindol-3-yl)-1-oxo-N-(4-phenoxyphenyl)-3,4-dihydroisoquinoline-4-carboxamide
CID 71168881
N-(3-chlorophenyl)-2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 53206556
2-methyl-3-(1-methylindol-3-yl)-N-(4-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 143539954
2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxamide
CID 143540174
N-butan-2-yl-2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 71169034
(3R,4S)-N-(2-bromo-4-methylphenyl)-2-(2-methoxyethyl)-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 94850577
3-(4-methoxyphenyl)-2-methyl-1-oxo-N-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinoline-4-carboxamide
CID 4677298
N-(2,4-dimethoxyphenyl)-2,3-dimethoxy-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxamide
CID 15991730
N-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 3574437
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 4146150
N-(4-methoxyphenyl)-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide
CID 56727777

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide (CID 53206560) is N-(2,4-dimethoxyphenyl)-2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide is COc1ccc(NC(=O)C2c3ccccc3C(=O)N(C)C2c2cn(C)c3ccccc23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The InChIKey is LPJFPTUMEPMSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-30-16-21(18-9-7-8-12-23(18)30)26-25(19-10-5-6-11-20(19)28(33)31(26)2)27(32)29-22-14-13-17(34-3)15-24(22)35-4/h5-16,25-26H,1-4H3,(H,29,32).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
N-(2,4-dimethoxyphenyl)-2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide has a molecular weight of 469.54 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-methyl-3-(1-methylindol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 53206560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).