6-(benzenesulfonyl)-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide

C24H19N5O3S — CID 11271059

IUPAC6-(benzenesulfonyl)-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide
SMILESCn1ncc2ccc(Nc3c(C(N)=O)cnc4ccc(S(=O)(=O)c5ccccc5)cc34)cc21
InChIInChI=1S/C24H19N5O3S/c1-29-22-11-16(8-7-15(22)13-27-29)28-23-19-12-18(33(31,32)17-5-3-2-4-6-17)9-10-21(19)26-14-20(23)24(25)30/h2-14H,1H3,(H2,25,30)(H,26,28)
InChIKeyKTHRLLIZACDFGR-UHFFFAOYSA-N
MW457.52 g/mol
LogP3.80
Rot. Bonds5

About 6-(benzenesulfonyl)-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide

6-(benzenesulfonyl)-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide (PubChem CID 11271059) has the molecular formula C24H19N5O3S and a molecular weight of 457.52 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-(benzenesulfonyl)-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide
PubChem CID11271059
Molecular FormulaC24H19N5O3S
Molecular Weight457.52 g/mol
Exact Mass457.12
IUPAC Name6-(benzenesulfonyl)-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide
SMILESCn1ncc2ccc(Nc3c(C(N)=O)cnc4ccc(S(=O)(=O)c5ccccc5)cc34)cc21
InChIInChI=1S/C24H19N5O3S/c1-29-22-11-16(8-7-15(22)13-27-29)28-23-19-12-18(33(31,32)17-5-3-2-4-6-17)9-10-21(19)26-14-20(23)24(25)30/h2-14H,1H3,(H2,25,30)(H,26,28)
InChIKeyKTHRLLIZACDFGR-UHFFFAOYSA-N
XLogP3.80
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide?
The IUPAC name of 6-(benzenesulfonyl)-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide (CID 11271059) is 6-(benzenesulfonyl)-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide.
What is the SMILES notation for 6-(benzenesulfonyl)-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide?
The canonical SMILES for 6-(benzenesulfonyl)-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide is Cn1ncc2ccc(Nc3c(C(N)=O)cnc4ccc(S(=O)(=O)c5ccccc5)cc34)cc21.
What is the InChIKey of 6-(benzenesulfonyl)-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide?
The InChIKey is KTHRLLIZACDFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3S/c1-29-22-11-16(8-7-15(22)13-27-29)28-23-19-12-18(33(31,32)17-5-3-2-4-6-17)9-10-21(19)26-14-20(23)24(25)30/h2-14H,1H3,(H2,25,30)(H,26,28).
What are the key properties of 6-(benzenesulfonyl)-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide?
6-(benzenesulfonyl)-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide has a molecular weight of 457.52 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide is sourced from PubChem (CID 11271059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).