N-(1H-indol-6-yl)-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide

C25H21N3O2 — CID 45495768

IUPACN-(1H-indol-6-yl)-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide
SMILESCN1C(=O)c2ccccc2C(C(=O)Nc2ccc3cc[nH]c3c2)C1c1ccccc1
InChIInChI=1S/C25H21N3O2/c1-28-23(17-7-3-2-4-8-17)22(19-9-5-6-10-20(19)25(28)30)24(29)27-18-12-11-16-13-14-26-21(16)15-18/h2-15,22-23,26H,1H3,(H,27,29)
InChIKeyDJABWDIXJBYBJW-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.72
Rot. Bonds3

About N-(1H-indol-6-yl)-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide

N-(1H-indol-6-yl)-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide (PubChem CID 45495768) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-(1H-indol-6-yl)-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-6-yl)-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide
PubChem CID45495768
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC NameN-(1H-indol-6-yl)-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide
SMILESCN1C(=O)c2ccccc2C(C(=O)Nc2ccc3cc[nH]c3c2)C1c1ccccc1
InChIInChI=1S/C25H21N3O2/c1-28-23(17-7-3-2-4-8-17)22(19-9-5-6-10-20(19)25(28)30)24(29)27-18-12-11-16-13-14-26-21(16)15-18/h2-15,22-23,26H,1H3,(H,27,29)
InChIKeyDJABWDIXJBYBJW-UHFFFAOYSA-N
XLogP4.72
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-6-yl)-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide?
The IUPAC name of N-(1H-indol-6-yl)-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide (CID 45495768) is N-(1H-indol-6-yl)-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(1H-indol-6-yl)-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(1H-indol-6-yl)-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide is CN1C(=O)c2ccccc2C(C(=O)Nc2ccc3cc[nH]c3c2)C1c1ccccc1.
What is the InChIKey of N-(1H-indol-6-yl)-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide?
The InChIKey is DJABWDIXJBYBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-28-23(17-7-3-2-4-8-17)22(19-9-5-6-10-20(19)25(28)30)24(29)27-18-12-11-16-13-14-26-21(16)15-18/h2-15,22-23,26H,1H3,(H,27,29).
What are the key properties of N-(1H-indol-6-yl)-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide?
N-(1H-indol-6-yl)-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-6-yl)-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 45495768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).