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

C29H21N5O2 — CID 155520243

IUPAC4-amino-8-[4-(3-phenylphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide
SMILESNC(=O)c1cnc2c(-c3cc(Oc4cccc(-c5ccccc5)c4)c4cn[nH]c4c3)cccc2c1N
InChIInChI=1S/C29H21N5O2/c30-27-22-11-5-10-21(28(22)32-15-24(27)29(31)35)19-13-25-23(16-33-34-25)26(14-19)36-20-9-4-8-18(12-20)17-6-2-1-3-7-17/h1-16H,(H2,30,32)(H2,31,35)(H,33,34)
InChIKeyOBOZGOAEESRYBQ-UHFFFAOYSA-N
MW471.52 g/mol
LogP5.92
Rot. Bonds5

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

4-amino-8-[4-(3-phenylphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide (PubChem CID 155520243) has the molecular formula C29H21N5O2 and a molecular weight of 471.52 g/mol. Its IUPAC name is 4-amino-8-[4-(3-phenylphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-[4-(3-phenylphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide
PubChem CID155520243
Molecular FormulaC29H21N5O2
Molecular Weight471.52 g/mol
Exact Mass471.17
IUPAC Name4-amino-8-[4-(3-phenylphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide
SMILESNC(=O)c1cnc2c(-c3cc(Oc4cccc(-c5ccccc5)c4)c4cn[nH]c4c3)cccc2c1N
InChIInChI=1S/C29H21N5O2/c30-27-22-11-5-10-21(28(22)32-15-24(27)29(31)35)19-13-25-23(16-33-34-25)26(14-19)36-20-9-4-8-18(12-20)17-6-2-1-3-7-17/h1-16H,(H2,30,32)(H2,31,35)(H,33,34)
InChIKeyOBOZGOAEESRYBQ-UHFFFAOYSA-N
XLogP5.92
TPSA119.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.52
LogP ≤ 55.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

CID 139030520
CID 139030520
9-methoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 10469516
N-[2-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 57394245
N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
CID 9910658
3-methoxy-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide
CID 22978165
N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]-1H-indole-4-carboxamide
CID 22978285
2-[[7-(1-Methylindazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
CID 71241914
2-[[7-(1-Ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
CID 71241952
2-[[7-(1-Propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
CID 71241965
US11866436, Example 177
CID 164915228
2-phenyl-8-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one
CID 10451595
2-phenyl-7-phenylmethoxy-1H-pyrazolo[4,3-c]quinolin-3-one
CID 10474129

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[4-(3-phenylphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide?
The IUPAC name of 4-amino-8-[4-(3-phenylphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide (CID 155520243) is 4-amino-8-[4-(3-phenylphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-[4-(3-phenylphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide?
The canonical SMILES for 4-amino-8-[4-(3-phenylphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide is NC(=O)c1cnc2c(-c3cc(Oc4cccc(-c5ccccc5)c4)c4cn[nH]c4c3)cccc2c1N.
What is the InChIKey of 4-amino-8-[4-(3-phenylphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide?
The InChIKey is OBOZGOAEESRYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N5O2/c30-27-22-11-5-10-21(28(22)32-15-24(27)29(31)35)19-13-25-23(16-33-34-25)26(14-19)36-20-9-4-8-18(12-20)17-6-2-1-3-7-17/h1-16H,(H2,30,32)(H2,31,35)(H,33,34).
What are the key properties of 4-amino-8-[4-(3-phenylphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide?
4-amino-8-[4-(3-phenylphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 5.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-[4-(3-phenylphenoxy)-1H-indazol-6-yl]quinoline-3-carboxamide is sourced from PubChem (CID 155520243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).