N-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide

C24H19N3O2 — CID 90283420

IUPACN-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1ccc(-c2c[nH]c(=O)c3ccccc23)cc1)N1CCc2ccccc21
InChIInChI=1S/C24H19N3O2/c28-23-20-7-3-2-6-19(20)21(15-25-23)16-9-11-18(12-10-16)26-24(29)27-14-13-17-5-1-4-8-22(17)27/h1-12,15H,13-14H2,(H,25,28)(H,26,29)
InChIKeyFIICCIFGIGHGSR-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.79
Rot. Bonds2

About N-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide

N-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 90283420) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide
PubChem CID90283420
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC NameN-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1ccc(-c2c[nH]c(=O)c3ccccc23)cc1)N1CCc2ccccc21
InChIInChI=1S/C24H19N3O2/c28-23-20-7-3-2-6-19(20)21(15-25-23)16-9-11-18(12-10-16)26-24(29)27-14-13-17-5-1-4-8-22(17)27/h1-12,15H,13-14H2,(H,25,28)(H,26,29)
InChIKeyFIICCIFGIGHGSR-UHFFFAOYSA-N
XLogP4.79
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminophenyl)-2,3-dihydroindole-1-carboxamide
CID 43469027
CID 144672697
CID 144672697
N-[3-methyl-4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 90284863
N-(4-nitrophenyl)-2,3-dihydroindole-1-carboxamide
CID 2897905
[1-[2-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]acetyl]-2,3-dihydroindol-6-yl] hypofluorite
CID 144672589
N-(3,4-dimethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6470011
N-(3,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991230
N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide
CID 69223923
N-[4-(4-methylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 143736687
N-(2-sulfanylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108886503
N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-2,3-dihydroindole-1-carboxamide
CID 3235768
4-chloro-2H-phthalazin-1-one;N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide;palladium;N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,3-dihydroindole-1-carboxamide;tetrakis(triphenylphosphane)
CID 158585489

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide (CID 90283420) is N-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide is O=C(Nc1ccc(-c2c[nH]c(=O)c3ccccc23)cc1)N1CCc2ccccc21.
What is the InChIKey of N-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is FIICCIFGIGHGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c28-23-20-7-3-2-6-19(20)21(15-25-23)16-9-11-18(12-10-16)26-24(29)27-14-13-17-5-1-4-8-22(17)27/h1-12,15H,13-14H2,(H,25,28)(H,26,29).
What are the key properties of N-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide?
N-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 4.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 90283420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).