N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]phthalazin-1-amine

C24H19N5 — CID 6845020

IUPACN-[(1-methyl-2-phenylindol-3-yl)methylideneamino]phthalazin-1-amine
SMILESCn1c(-c2ccccc2)c(C=NNc2nncc3ccccc23)c2ccccc21
InChIInChI=1S/C24H19N5/c1-29-22-14-8-7-13-20(22)21(23(29)17-9-3-2-4-10-17)16-26-28-24-19-12-6-5-11-18(19)15-25-27-24/h2-16H,1H3,(H,27,28)
InChIKeyBSYQHRYPXFORGL-UHFFFAOYSA-N
MW377.45 g/mol
LogP5.23
Rot. Bonds4

About N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]phthalazin-1-amine

N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]phthalazin-1-amine (PubChem CID 6845020) has the molecular formula C24H19N5 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]phthalazin-1-amine.

Molecular Properties

Compound NameN-[(1-methyl-2-phenylindol-3-yl)methylideneamino]phthalazin-1-amine
PubChem CID6845020
Molecular FormulaC24H19N5
Molecular Weight377.45 g/mol
Exact Mass377.16
IUPAC NameN-[(1-methyl-2-phenylindol-3-yl)methylideneamino]phthalazin-1-amine
SMILESCn1c(-c2ccccc2)c(C=NNc2nncc3ccccc23)c2ccccc21
InChIInChI=1S/C24H19N5/c1-29-22-14-8-7-13-20(22)21(23(29)17-9-3-2-4-10-17)16-26-28-24-19-12-6-5-11-18(19)15-25-27-24/h2-16H,1H3,(H,27,28)
InChIKeyBSYQHRYPXFORGL-UHFFFAOYSA-N
XLogP5.23
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]phthalazin-1-amine?
The IUPAC name of N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]phthalazin-1-amine (CID 6845020) is N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]phthalazin-1-amine.
What is the SMILES notation for N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]phthalazin-1-amine?
The canonical SMILES for N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]phthalazin-1-amine is Cn1c(-c2ccccc2)c(C=NNc2nncc3ccccc23)c2ccccc21.
What is the InChIKey of N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]phthalazin-1-amine?
The InChIKey is BSYQHRYPXFORGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5/c1-29-22-14-8-7-13-20(22)21(23(29)17-9-3-2-4-10-17)16-26-28-24-19-12-6-5-11-18(19)15-25-27-24/h2-16H,1H3,(H,27,28).
What are the key properties of N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]phthalazin-1-amine?
N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]phthalazin-1-amine has a molecular weight of 377.45 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]phthalazin-1-amine is sourced from PubChem (CID 6845020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).