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

C24H20N4O2 — CID 90284863

IUPACN-[3-methyl-4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESCc1cc(NC(=O)N2CCc3ccccc32)ccc1-c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C24H20N4O2/c1-15-14-17(25-24(30)28-13-12-16-6-2-5-9-21(16)28)10-11-18(15)22-19-7-3-4-8-20(19)23(29)27-26-22/h2-11,14H,12-13H2,1H3,(H,25,30)(H,27,29)
InChIKeyGBHXVOCNJOTRSZ-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.49
Rot. Bonds2

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

N-[3-methyl-4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 90284863) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[3-methyl-4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide
PubChem CID90284863
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN-[3-methyl-4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESCc1cc(NC(=O)N2CCc3ccccc32)ccc1-c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C24H20N4O2/c1-15-14-17(25-24(30)28-13-12-16-6-2-5-9-21(16)28)10-11-18(15)22-19-7-3-4-8-20(19)23(29)27-26-22/h2-11,14H,12-13H2,1H3,(H,25,30)(H,27,29)
InChIKeyGBHXVOCNJOTRSZ-UHFFFAOYSA-N
XLogP4.49
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 6470011
N-[4-(1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 90283420
N-[3-methyl-4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,1-benzoxazole-3-carboxamide
CID 118556458
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
2-(2,3-dihydroindol-1-yl)-N-(3,4-dimethylphenyl)-2-oxoacetamide
CID 108523162
N-(3,4-difluorophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991230
N-(4-aminophenyl)-2,3-dihydroindole-1-carboxamide
CID 43469027
CID 144672697
CID 144672697
N-(5-methylsulfanyl-3-pyridinyl)-2,3-dihydroindole-1-carboxamide
CID 67754562
1-[(1-tert-butylazetidin-3-yl)methyl]-N-[3-methyl-4-(4-oxo-3H-phthalazin-1-yl)phenyl]indazole-3-carboxamide
CID 172831976
N-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)-2,3-dihydroindole-1-carboxamide
CID 3235768
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-fluoro-4-methylphenyl)urea
CID 46383450

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[3-methyl-4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide (CID 90284863) is N-[3-methyl-4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[3-methyl-4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[3-methyl-4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide is Cc1cc(NC(=O)N2CCc3ccccc32)ccc1-c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[3-methyl-4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is GBHXVOCNJOTRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-15-14-17(25-24(30)28-13-12-16-6-2-5-9-21(16)28)10-11-18(15)22-19-7-3-4-8-20(19)23(29)27-26-22/h2-11,14H,12-13H2,1H3,(H,25,30)(H,27,29).
What are the key properties of N-[3-methyl-4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide?
N-[3-methyl-4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 90284863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).