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

C23H18N4O2 — CID 90284214

IUPACN-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)N1CCc2ccccc21
InChIInChI=1S/C23H18N4O2/c28-22-19-7-3-2-6-18(19)21(25-26-22)16-9-11-17(12-10-16)24-23(29)27-14-13-15-5-1-4-8-20(15)27/h1-12H,13-14H2,(H,24,29)(H,26,28)
InChIKeyXTIYMUSBVIPTLM-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.18
Rot. Bonds2

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

N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 90284214) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide
PubChem CID90284214
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC NameN-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(Nc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)N1CCc2ccccc21
InChIInChI=1S/C23H18N4O2/c28-22-19-7-3-2-6-18(19)21(25-26-22)16-9-11-17(12-10-16)24-23(29)27-14-13-15-5-1-4-8-20(15)27/h1-12H,13-14H2,(H,24,29)(H,26,28)
InChIKeyXTIYMUSBVIPTLM-UHFFFAOYSA-N
XLogP4.18
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide (CID 90284214) is N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide is O=C(Nc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)N1CCc2ccccc21.
What is the InChIKey of N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is XTIYMUSBVIPTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c28-22-19-7-3-2-6-18(19)21(25-26-22)16-9-11-17(12-10-16)24-23(29)27-14-13-15-5-1-4-8-20(15)27/h1-12H,13-14H2,(H,24,29)(H,26,28).
What are the key properties of N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide?
N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-oxo-3H-phthalazin-1-yl)phenyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 90284214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).