3-(1H-indol-3-yl)-2-methyl-N-(2-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

C26H23N3O2 — CID 15999642

IUPAC3-(1H-indol-3-yl)-2-methyl-N-(2-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
SMILESCc1ccccc1NC(=O)C1c2ccccc2C(=O)N(C)C1c1c[nH]c2ccccc12
InChIInChI=1S/C26H23N3O2/c1-16-9-3-7-13-21(16)28-25(30)23-18-11-4-5-12-19(18)26(31)29(2)24(23)20-15-27-22-14-8-6-10-17(20)22/h3-15,23-24,27H,1-2H3,(H,28,30)
InChIKeyCGEAOLINCFWROI-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.03
Rot. Bonds3

About 3-(1H-indol-3-yl)-2-methyl-N-(2-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

3-(1H-indol-3-yl)-2-methyl-N-(2-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide (PubChem CID 15999642) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-methyl-N-(2-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-methyl-N-(2-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
PubChem CID15999642
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name3-(1H-indol-3-yl)-2-methyl-N-(2-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
SMILESCc1ccccc1NC(=O)C1c2ccccc2C(=O)N(C)C1c1c[nH]c2ccccc12
InChIInChI=1S/C26H23N3O2/c1-16-9-3-7-13-21(16)28-25(30)23-18-11-4-5-12-19(18)26(31)29(2)24(23)20-15-27-22-14-8-6-10-17(20)22/h3-15,23-24,27H,1-2H3,(H,28,30)
InChIKeyCGEAOLINCFWROI-UHFFFAOYSA-N
XLogP5.03
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-methyl-N-(2-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The IUPAC name of 3-(1H-indol-3-yl)-2-methyl-N-(2-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide (CID 15999642) is 3-(1H-indol-3-yl)-2-methyl-N-(2-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-methyl-N-(2-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for 3-(1H-indol-3-yl)-2-methyl-N-(2-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide is Cc1ccccc1NC(=O)C1c2ccccc2C(=O)N(C)C1c1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-2-methyl-N-(2-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The InChIKey is CGEAOLINCFWROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-16-9-3-7-13-21(16)28-25(30)23-18-11-4-5-12-19(18)26(31)29(2)24(23)20-15-27-22-14-8-6-10-17(20)22/h3-15,23-24,27H,1-2H3,(H,28,30).
What are the key properties of 3-(1H-indol-3-yl)-2-methyl-N-(2-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
3-(1H-indol-3-yl)-2-methyl-N-(2-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 5.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-methyl-N-(2-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 15999642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).