3-N-(4-methoxyphenyl)-1-N-phenyl-4-quinolin-8-ylsulfonylpiperazine-1,3-dicarboxamide

C28H27N5O5S — CID 10347402

IUPAC3-N-(4-methoxyphenyl)-1-N-phenyl-4-quinolin-8-ylsulfonylpiperazine-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CN(C(=O)Nc3ccccc3)CCN2S(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C28H27N5O5S/c1-38-23-14-12-22(13-15-23)30-27(34)24-19-32(28(35)31-21-9-3-2-4-10-21)17-18-33(24)39(36,37)25-11-5-7-20-8-6-16-29-26(20)25/h2-16,24H,17-19H2,1H3,(H,30,34)(H,31,35)
InChIKeyXMXBRZBUCKHDET-UHFFFAOYSA-N
MW545.62 g/mol
LogP3.79
Rot. Bonds6

About 3-N-(4-methoxyphenyl)-1-N-phenyl-4-quinolin-8-ylsulfonylpiperazine-1,3-dicarboxamide

3-N-(4-methoxyphenyl)-1-N-phenyl-4-quinolin-8-ylsulfonylpiperazine-1,3-dicarboxamide (PubChem CID 10347402) has the molecular formula C28H27N5O5S and a molecular weight of 545.62 g/mol. Its IUPAC name is 3-N-(4-methoxyphenyl)-1-N-phenyl-4-quinolin-8-ylsulfonylpiperazine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-methoxyphenyl)-1-N-phenyl-4-quinolin-8-ylsulfonylpiperazine-1,3-dicarboxamide
PubChem CID10347402
Molecular FormulaC28H27N5O5S
Molecular Weight545.62 g/mol
Exact Mass545.17
IUPAC Name3-N-(4-methoxyphenyl)-1-N-phenyl-4-quinolin-8-ylsulfonylpiperazine-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CN(C(=O)Nc3ccccc3)CCN2S(=O)(=O)c2cccc3cccnc23)cc1
InChIInChI=1S/C28H27N5O5S/c1-38-23-14-12-22(13-15-23)30-27(34)24-19-32(28(35)31-21-9-3-2-4-10-21)17-18-33(24)39(36,37)25-11-5-7-20-8-6-16-29-26(20)25/h2-16,24H,17-19H2,1H3,(H,30,34)(H,31,35)
InChIKeyXMXBRZBUCKHDET-UHFFFAOYSA-N
XLogP3.79
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.62
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-N-(4-methoxyphenyl)-1-N-phenyl-4-quinolin-8-ylsulfonylpiperazine-1,3-dicarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-benzylpiperidine-1-carbonyl)-N-(4-methylphenyl)-4-quinolin-8-ylsulfonylpiperazine-1-carboxamide
CID 134085056
1-quinolin-8-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide
CID 5309619
(2S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-quinolin-8-ylsulfonylpiperazine-2-carboxylic acid
CID 68886387
(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-quinolin-8-ylsulfonylpiperazine-2-carboxylic acid;hydrochloride
CID 68885848
tert-butyl (3R)-3-(prop-2-enylcarbamoyl)-4-quinolin-8-ylsulfonylpiperazine-1-carboxylate
CID 10411933
N-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)-4-naphthalen-1-ylsulfonylpiperazine-1-carboxamide
CID 134085239
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16828016
4-[4-(dimethylamino)benzoyl]-N-(2,2-diphenylethyl)-1-quinolin-8-ylsulfonylpiperazine-2-carboxamide
CID 67012573
(4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone
CID 5309053
4-(2,2-diphenylacetyl)-1-quinolin-8-ylsulfonyl-N-(thiophen-2-ylmethyl)piperazine-2-carboxamide
CID 58899676
4-(4-methoxyphenyl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 110637834
(2S,6S)-2,6-dimethyl-N-(4-quinolin-8-yloxyphenyl)morpholine-4-carboxamide
CID 95305079

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-methoxyphenyl)-1-N-phenyl-4-quinolin-8-ylsulfonylpiperazine-1,3-dicarboxamide?
The IUPAC name of 3-N-(4-methoxyphenyl)-1-N-phenyl-4-quinolin-8-ylsulfonylpiperazine-1,3-dicarboxamide (CID 10347402) is 3-N-(4-methoxyphenyl)-1-N-phenyl-4-quinolin-8-ylsulfonylpiperazine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-methoxyphenyl)-1-N-phenyl-4-quinolin-8-ylsulfonylpiperazine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(4-methoxyphenyl)-1-N-phenyl-4-quinolin-8-ylsulfonylpiperazine-1,3-dicarboxamide is COc1ccc(NC(=O)C2CN(C(=O)Nc3ccccc3)CCN2S(=O)(=O)c2cccc3cccnc23)cc1.
What is the InChIKey of 3-N-(4-methoxyphenyl)-1-N-phenyl-4-quinolin-8-ylsulfonylpiperazine-1,3-dicarboxamide?
The InChIKey is XMXBRZBUCKHDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O5S/c1-38-23-14-12-22(13-15-23)30-27(34)24-19-32(28(35)31-21-9-3-2-4-10-21)17-18-33(24)39(36,37)25-11-5-7-20-8-6-16-29-26(20)25/h2-16,24H,17-19H2,1H3,(H,30,34)(H,31,35).
What are the key properties of 3-N-(4-methoxyphenyl)-1-N-phenyl-4-quinolin-8-ylsulfonylpiperazine-1,3-dicarboxamide?
3-N-(4-methoxyphenyl)-1-N-phenyl-4-quinolin-8-ylsulfonylpiperazine-1,3-dicarboxamide has a molecular weight of 545.62 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-methoxyphenyl)-1-N-phenyl-4-quinolin-8-ylsulfonylpiperazine-1,3-dicarboxamide is sourced from PubChem (CID 10347402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).