6-(4-aminophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine

C22H17N5 — CID 86766655

IUPAC6-(4-aminophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
SMILESNc1ccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)cc1
InChIInChI=1S/C22H17N5/c23-16-7-4-14(5-8-16)15-6-9-19-17(12-15)21(10-11-24-19)26-20-2-1-3-22-18(20)13-25-27-22/h1-13H,23H2,(H,24,26)(H,25,27)
InChIKeyRJMLEEWCSBNXDE-UHFFFAOYSA-N
MW351.41 g/mol
LogP5.10
Rot. Bonds3

About 6-(4-aminophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine

6-(4-aminophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine (PubChem CID 86766655) has the molecular formula C22H17N5 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-(4-aminophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine.

Molecular Properties

Compound Name6-(4-aminophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
PubChem CID86766655
Molecular FormulaC22H17N5
Molecular Weight351.41 g/mol
Exact Mass351.15
IUPAC Name6-(4-aminophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
SMILESNc1ccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)cc1
InChIInChI=1S/C22H17N5/c23-16-7-4-14(5-8-16)15-6-9-19-17(12-15)21(10-11-24-19)26-20-2-1-3-22-18(20)13-25-27-22/h1-13H,23H2,(H,24,26)(H,25,27)
InChIKeyRJMLEEWCSBNXDE-UHFFFAOYSA-N
XLogP5.10
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-aminophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?
The IUPAC name of 6-(4-aminophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine (CID 86766655) is 6-(4-aminophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine.
What is the SMILES notation for 6-(4-aminophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?
The canonical SMILES for 6-(4-aminophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine is Nc1ccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)cc1.
What is the InChIKey of 6-(4-aminophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?
The InChIKey is RJMLEEWCSBNXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5/c23-16-7-4-14(5-8-16)15-6-9-19-17(12-15)21(10-11-24-19)26-20-2-1-3-22-18(20)13-25-27-22/h1-13H,23H2,(H,24,26)(H,25,27).
What are the key properties of 6-(4-aminophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?
6-(4-aminophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine has a molecular weight of 351.41 g/mol, XLogP of 5.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-aminophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine is sourced from PubChem (CID 86766655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).