6-(benzenesulfonyl)-8-methyl-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide

C25H21N5O3S — CID 11317395

IUPAC6-(benzenesulfonyl)-8-methyl-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide
SMILESCc1cc(S(=O)(=O)c2ccccc2)cc2c(Nc3ccc4cnn(C)c4c3)c(C(N)=O)cnc12
InChIInChI=1S/C25H21N5O3S/c1-15-10-19(34(32,33)18-6-4-3-5-7-18)12-20-23(15)27-14-21(25(26)31)24(20)29-17-9-8-16-13-28-30(2)22(16)11-17/h3-14H,1-2H3,(H2,26,31)(H,27,29)
InChIKeyQOYREZODLMEFAA-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.11
Rot. Bonds5

About 6-(benzenesulfonyl)-8-methyl-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide

6-(benzenesulfonyl)-8-methyl-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide (PubChem CID 11317395) has the molecular formula C25H21N5O3S and a molecular weight of 471.54 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-8-methyl-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-(benzenesulfonyl)-8-methyl-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide
PubChem CID11317395
Molecular FormulaC25H21N5O3S
Molecular Weight471.54 g/mol
Exact Mass471.14
IUPAC Name6-(benzenesulfonyl)-8-methyl-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide
SMILESCc1cc(S(=O)(=O)c2ccccc2)cc2c(Nc3ccc4cnn(C)c4c3)c(C(N)=O)cnc12
InChIInChI=1S/C25H21N5O3S/c1-15-10-19(34(32,33)18-6-4-3-5-7-18)12-20-23(15)27-14-21(25(26)31)24(20)29-17-9-8-16-13-28-30(2)22(16)11-17/h3-14H,1-2H3,(H2,26,31)(H,27,29)
InChIKeyQOYREZODLMEFAA-UHFFFAOYSA-N
XLogP4.11
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-8-methyl-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide?
The IUPAC name of 6-(benzenesulfonyl)-8-methyl-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide (CID 11317395) is 6-(benzenesulfonyl)-8-methyl-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide.
What is the SMILES notation for 6-(benzenesulfonyl)-8-methyl-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide?
The canonical SMILES for 6-(benzenesulfonyl)-8-methyl-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide is Cc1cc(S(=O)(=O)c2ccccc2)cc2c(Nc3ccc4cnn(C)c4c3)c(C(N)=O)cnc12.
What is the InChIKey of 6-(benzenesulfonyl)-8-methyl-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide?
The InChIKey is QOYREZODLMEFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3S/c1-15-10-19(34(32,33)18-6-4-3-5-7-18)12-20-23(15)27-14-21(25(26)31)24(20)29-17-9-8-16-13-28-30(2)22(16)11-17/h3-14H,1-2H3,(H2,26,31)(H,27,29).
What are the key properties of 6-(benzenesulfonyl)-8-methyl-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide?
6-(benzenesulfonyl)-8-methyl-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-8-methyl-4-[(1-methylindazol-6-yl)amino]quinoline-3-carboxamide is sourced from PubChem (CID 11317395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).