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

C23H18N4O2S — CID 86766654

IUPACN-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinolin-4-amine
SMILESCS(=O)(=O)c1ccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)cc1
InChIInChI=1S/C23H18N4O2S/c1-30(28,29)17-8-5-15(6-9-17)16-7-10-20-18(13-16)22(11-12-24-20)26-21-3-2-4-23-19(21)14-25-27-23/h2-14H,1H3,(H,24,26)(H,25,27)
InChIKeyOCYFPMVYKUWKCZ-UHFFFAOYSA-N
MW414.49 g/mol
LogP4.93
Rot. Bonds4

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

N-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinolin-4-amine (PubChem CID 86766654) has the molecular formula C23H18N4O2S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinolin-4-amine
PubChem CID86766654
Molecular FormulaC23H18N4O2S
Molecular Weight414.49 g/mol
Exact Mass414.12
IUPAC NameN-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinolin-4-amine
SMILESCS(=O)(=O)c1ccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)cc1
InChIInChI=1S/C23H18N4O2S/c1-30(28,29)17-8-5-15(6-9-17)16-7-10-20-18(13-16)22(11-12-24-20)26-21-3-2-4-23-19(21)14-25-27-23/h2-14H,1H3,(H,24,26)(H,25,27)
InChIKeyOCYFPMVYKUWKCZ-UHFFFAOYSA-N
XLogP4.93
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinolin-4-amine?
The IUPAC name of N-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinolin-4-amine (CID 86766654) is N-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinolin-4-amine.
What is the SMILES notation for N-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinolin-4-amine?
The canonical SMILES for N-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinolin-4-amine is CS(=O)(=O)c1ccc(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)cc1.
What is the InChIKey of N-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinolin-4-amine?
The InChIKey is OCYFPMVYKUWKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2S/c1-30(28,29)17-8-5-15(6-9-17)16-7-10-20-18(13-16)22(11-12-24-20)26-21-3-2-4-23-19(21)14-25-27-23/h2-14H,1H3,(H,24,26)(H,25,27).
What are the key properties of N-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinolin-4-amine?
N-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinolin-4-amine has a molecular weight of 414.49 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-4-yl)-6-(4-methylsulfonylphenyl)quinolin-4-amine is sourced from PubChem (CID 86766654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).