6-(2-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine

C23H17FN4O — CID 86766645

IUPAC6-(2-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
SMILESCOc1cccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)c1F
InChIInChI=1S/C23H17FN4O/c1-29-22-7-2-4-15(23(22)24)14-8-9-18-16(12-14)20(10-11-25-18)27-19-5-3-6-21-17(19)13-26-28-21/h2-13H,1H3,(H,25,27)(H,26,28)
InChIKeyQUBZBDCDFOKXJG-UHFFFAOYSA-N
MW384.41 g/mol
LogP5.67
Rot. Bonds4

About 6-(2-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine

6-(2-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine (PubChem CID 86766645) has the molecular formula C23H17FN4O and a molecular weight of 384.41 g/mol. Its IUPAC name is 6-(2-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine.

Molecular Properties

Compound Name6-(2-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
PubChem CID86766645
Molecular FormulaC23H17FN4O
Molecular Weight384.41 g/mol
Exact Mass384.14
IUPAC Name6-(2-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
SMILESCOc1cccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)c1F
InChIInChI=1S/C23H17FN4O/c1-29-22-7-2-4-15(23(22)24)14-8-9-18-16(12-14)20(10-11-25-18)27-19-5-3-6-21-17(19)13-26-28-21/h2-13H,1H3,(H,25,27)(H,26,28)
InChIKeyQUBZBDCDFOKXJG-UHFFFAOYSA-N
XLogP5.67
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.41
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?
The IUPAC name of 6-(2-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine (CID 86766645) is 6-(2-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine.
What is the SMILES notation for 6-(2-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?
The canonical SMILES for 6-(2-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine is COc1cccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)c1F.
What is the InChIKey of 6-(2-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?
The InChIKey is QUBZBDCDFOKXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O/c1-29-22-7-2-4-15(23(22)24)14-8-9-18-16(12-14)20(10-11-25-18)27-19-5-3-6-21-17(19)13-26-28-21/h2-13H,1H3,(H,25,27)(H,26,28).
What are the key properties of 6-(2-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?
6-(2-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine has a molecular weight of 384.41 g/mol, XLogP of 5.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine is sourced from PubChem (CID 86766645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).