6-methoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-2-carboxamide

C23H24N4O4S — CID 24584233

IUPAC6-methoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)Nc3ccc(S(=O)(=O)NC4=NCCCCC4)cc3)ccc2c1
InChIInChI=1S/C23H24N4O4S/c1-31-18-9-13-20-16(15-18)6-12-21(26-20)23(28)25-17-7-10-19(11-8-17)32(29,30)27-22-5-3-2-4-14-24-22/h6-13,15H,2-5,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyOPRFIUMRSAHLGD-UHFFFAOYSA-N
MW452.54 g/mol
LogP3.75
Rot. Bonds5

About 6-methoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-2-carboxamide

6-methoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-2-carboxamide (PubChem CID 24584233) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is 6-methoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-2-carboxamide
PubChem CID24584233
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Name6-methoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)Nc3ccc(S(=O)(=O)NC4=NCCCCC4)cc3)ccc2c1
InChIInChI=1S/C23H24N4O4S/c1-31-18-9-13-20-16(15-18)6-12-21(26-20)23(28)25-17-7-10-19(11-8-17)32(29,30)27-22-5-3-2-4-14-24-22/h6-13,15H,2-5,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyOPRFIUMRSAHLGD-UHFFFAOYSA-N
XLogP3.75
TPSA109.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-2-carboxamide 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

N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-6-methoxyquinoline-2-carboxamide
CID 166435654
N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methoxybenzenesulfonamide
CID 125493248
N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 2324236
N-[4-(cyclopropanecarbonylamino)phenyl]-6-methoxyquinoline-2-carboxamide
CID 24601678
N-(4-ethoxyphenyl)-6-methoxyquinoline-2-carboxamide
CID 33314007
N-(1,3-benzodioxol-5-yl)-6-methoxyquinoline-2-carboxamide
CID 33313694
2-naphthalen-2-yl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
CID 26267039
2-chloro-4,5-difluoro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 2107533
trans-(1S,2S)-2-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 9343886
4-propan-2-yl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 9343848
5-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 9343844
N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011323

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-2-carboxamide?
The IUPAC name of 6-methoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-2-carboxamide (CID 24584233) is 6-methoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-2-carboxamide is COc1ccc2nc(C(=O)Nc3ccc(S(=O)(=O)NC4=NCCCCC4)cc3)ccc2c1.
What is the InChIKey of 6-methoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-2-carboxamide?
The InChIKey is OPRFIUMRSAHLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-31-18-9-13-20-16(15-18)6-12-21(26-20)23(28)25-17-7-10-19(11-8-17)32(29,30)27-22-5-3-2-4-14-24-22/h6-13,15H,2-5,14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 6-methoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-2-carboxamide?
6-methoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-2-carboxamide has a molecular weight of 452.54 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 24584233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).