N-[[4-(5-methoxyindol-1-yl)sulfonylphenyl]methyl]quinolin-7-amine

C25H21N3O3S — CID 141109209

IUPACN-[[4-(5-methoxyindol-1-yl)sulfonylphenyl]methyl]quinolin-7-amine
SMILESCOc1ccc2c(ccn2S(=O)(=O)c2ccc(CNc3ccc4cccnc4c3)cc2)c1
InChIInChI=1S/C25H21N3O3S/c1-31-22-8-11-25-20(15-22)12-14-28(25)32(29,30)23-9-4-18(5-10-23)17-27-21-7-6-19-3-2-13-26-24(19)16-21/h2-16,27H,17H2,1H3
InChIKeyLIIGMGREPMSRFI-UHFFFAOYSA-N
MW443.53 g/mol
LogP5.05
Rot. Bonds6

About N-[[4-(5-methoxyindol-1-yl)sulfonylphenyl]methyl]quinolin-7-amine

N-[[4-(5-methoxyindol-1-yl)sulfonylphenyl]methyl]quinolin-7-amine (PubChem CID 141109209) has the molecular formula C25H21N3O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-[[4-(5-methoxyindol-1-yl)sulfonylphenyl]methyl]quinolin-7-amine.

Molecular Properties

Compound NameN-[[4-(5-methoxyindol-1-yl)sulfonylphenyl]methyl]quinolin-7-amine
PubChem CID141109209
Molecular FormulaC25H21N3O3S
Molecular Weight443.53 g/mol
Exact Mass443.13
IUPAC NameN-[[4-(5-methoxyindol-1-yl)sulfonylphenyl]methyl]quinolin-7-amine
SMILESCOc1ccc2c(ccn2S(=O)(=O)c2ccc(CNc3ccc4cccnc4c3)cc2)c1
InChIInChI=1S/C25H21N3O3S/c1-31-22-8-11-25-20(15-22)12-14-28(25)32(29,30)23-9-4-18(5-10-23)17-27-21-7-6-19-3-2-13-26-24(19)16-21/h2-16,27H,17H2,1H3
InChIKeyLIIGMGREPMSRFI-UHFFFAOYSA-N
XLogP5.05
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.53
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-(5-methoxyindol-1-yl)sulfonylphenyl]methyl]quinolin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-methoxyindol-1-yl)sulfonylphenyl]methyl]quinolin-7-amine?
The IUPAC name of N-[[4-(5-methoxyindol-1-yl)sulfonylphenyl]methyl]quinolin-7-amine (CID 141109209) is N-[[4-(5-methoxyindol-1-yl)sulfonylphenyl]methyl]quinolin-7-amine.
What is the SMILES notation for N-[[4-(5-methoxyindol-1-yl)sulfonylphenyl]methyl]quinolin-7-amine?
The canonical SMILES for N-[[4-(5-methoxyindol-1-yl)sulfonylphenyl]methyl]quinolin-7-amine is COc1ccc2c(ccn2S(=O)(=O)c2ccc(CNc3ccc4cccnc4c3)cc2)c1.
What is the InChIKey of N-[[4-(5-methoxyindol-1-yl)sulfonylphenyl]methyl]quinolin-7-amine?
The InChIKey is LIIGMGREPMSRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3S/c1-31-22-8-11-25-20(15-22)12-14-28(25)32(29,30)23-9-4-18(5-10-23)17-27-21-7-6-19-3-2-13-26-24(19)16-21/h2-16,27H,17H2,1H3.
What are the key properties of N-[[4-(5-methoxyindol-1-yl)sulfonylphenyl]methyl]quinolin-7-amine?
N-[[4-(5-methoxyindol-1-yl)sulfonylphenyl]methyl]quinolin-7-amine has a molecular weight of 443.53 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-methoxyindol-1-yl)sulfonylphenyl]methyl]quinolin-7-amine is sourced from PubChem (CID 141109209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).