4-amino-8-[4-(4-phenoxyphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide

C29H21N5O3 — CID 155529424

IUPAC4-amino-8-[4-(4-phenoxyphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide
SMILESNC(=O)c1cnc2c(-c3cc(Oc4ccc(Oc5ccccc5)cc4)c4cn[nH]c4c3)cccc2c1N
InChIInChI=1S/C29H21N5O3/c30-27-22-8-4-7-21(28(22)32-15-24(27)29(31)35)17-13-25-23(16-33-34-25)26(14-17)37-20-11-9-19(10-12-20)36-18-5-2-1-3-6-18/h1-16H,(H2,30,32)(H2,31,35)(H,33,34)
InChIKeyAZBQLDXNLHVTSU-UHFFFAOYSA-N
MW487.52 g/mol
LogP6.04
Rot. Bonds6

About 4-amino-8-[4-(4-phenoxyphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide

4-amino-8-[4-(4-phenoxyphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide (PubChem CID 155529424) has the molecular formula C29H21N5O3 and a molecular weight of 487.52 g/mol. Its IUPAC name is 4-amino-8-[4-(4-phenoxyphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-[4-(4-phenoxyphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide
PubChem CID155529424
Molecular FormulaC29H21N5O3
Molecular Weight487.52 g/mol
Exact Mass487.16
IUPAC Name4-amino-8-[4-(4-phenoxyphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide
SMILESNC(=O)c1cnc2c(-c3cc(Oc4ccc(Oc5ccccc5)cc4)c4cn[nH]c4c3)cccc2c1N
InChIInChI=1S/C29H21N5O3/c30-27-22-8-4-7-21(28(22)32-15-24(27)29(31)35)17-13-25-23(16-33-34-25)26(14-17)37-20-11-9-19(10-12-20)36-18-5-2-1-3-6-18/h1-16H,(H2,30,32)(H2,31,35)(H,33,34)
InChIKeyAZBQLDXNLHVTSU-UHFFFAOYSA-N
XLogP6.04
TPSA129.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.52
LogP ≤ 56.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[4-(4-phenoxyphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide?
The IUPAC name of 4-amino-8-[4-(4-phenoxyphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide (CID 155529424) is 4-amino-8-[4-(4-phenoxyphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-[4-(4-phenoxyphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide?
The canonical SMILES for 4-amino-8-[4-(4-phenoxyphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide is NC(=O)c1cnc2c(-c3cc(Oc4ccc(Oc5ccccc5)cc4)c4cn[nH]c4c3)cccc2c1N.
What is the InChIKey of 4-amino-8-[4-(4-phenoxyphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide?
The InChIKey is AZBQLDXNLHVTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N5O3/c30-27-22-8-4-7-21(28(22)32-15-24(27)29(31)35)17-13-25-23(16-33-34-25)26(14-17)37-20-11-9-19(10-12-20)36-18-5-2-1-3-6-18/h1-16H,(H2,30,32)(H2,31,35)(H,33,34).
What are the key properties of 4-amino-8-[4-(4-phenoxyphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide?
4-amino-8-[4-(4-phenoxyphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide has a molecular weight of 487.52 g/mol, XLogP of 6.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-[4-(4-phenoxyphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide is sourced from PubChem (CID 155529424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).