6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine

C22H16FN5 — CID 86766671

IUPAC6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
SMILESNc1ccc(F)c(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)c1
InChIInChI=1S/C22H16FN5/c23-18-6-5-14(24)11-15(18)13-4-7-19-16(10-13)21(8-9-25-19)27-20-2-1-3-22-17(20)12-26-28-22/h1-12H,24H2,(H,25,27)(H,26,28)
InChIKeyGCIPLOMLMJVRLX-UHFFFAOYSA-N
MW369.40 g/mol
LogP5.24
Rot. Bonds3

About 6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine

6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine (PubChem CID 86766671) has the molecular formula C22H16FN5 and a molecular weight of 369.40 g/mol. Its IUPAC name is 6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine.

Molecular Properties

Compound Name6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
PubChem CID86766671
Molecular FormulaC22H16FN5
Molecular Weight369.40 g/mol
Exact Mass369.14
IUPAC Name6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
SMILESNc1ccc(F)c(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)c1
InChIInChI=1S/C22H16FN5/c23-18-6-5-14(24)11-15(18)13-4-7-19-16(10-13)21(8-9-25-19)27-20-2-1-3-22-17(20)12-26-28-22/h1-12H,24H2,(H,25,27)(H,26,28)
InChIKeyGCIPLOMLMJVRLX-UHFFFAOYSA-N
XLogP5.24
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.40
LogP ≤ 55.24
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-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?
The IUPAC name of 6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine (CID 86766671) is 6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine.
What is the SMILES notation for 6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?
The canonical SMILES for 6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine is Nc1ccc(F)c(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)c1.
What is the InChIKey of 6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?
The InChIKey is GCIPLOMLMJVRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5/c23-18-6-5-14(24)11-15(18)13-4-7-19-16(10-13)21(8-9-25-19)27-20-2-1-3-22-17(20)12-26-28-22/h1-12H,24H2,(H,25,27)(H,26,28).
What are the key properties of 6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?
6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine has a molecular weight of 369.40 g/mol, XLogP of 5.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine is sourced from PubChem (CID 86766671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).