N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]quinoline-8-carboxamide

C25H26N6O4S — CID 59028912

IUPACN-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]quinoline-8-carboxamide
SMILESNS(=O)(=O)NCCCCC(NC(=O)c1cccc2cccnc12)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C25H26N6O4S/c26-36(34,35)29-16-2-1-12-21(25(33)30-20-13-4-8-18-10-6-15-28-23(18)20)31-24(32)19-11-3-7-17-9-5-14-27-22(17)19/h3-11,13-15,21,29H,1-2,12,16H2,(H,30,33)(H,31,32)(H2,26,34,35)
InChIKeyKHARKPBMXGACGF-UHFFFAOYSA-N
MW506.59 g/mol
LogP2.48
Rot. Bonds10

About N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]quinoline-8-carboxamide

N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]quinoline-8-carboxamide (PubChem CID 59028912) has the molecular formula C25H26N6O4S and a molecular weight of 506.59 g/mol. Its IUPAC name is N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]quinoline-8-carboxamide
PubChem CID59028912
Molecular FormulaC25H26N6O4S
Molecular Weight506.59 g/mol
Exact Mass506.17
IUPAC NameN-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]quinoline-8-carboxamide
SMILESNS(=O)(=O)NCCCCC(NC(=O)c1cccc2cccnc12)C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C25H26N6O4S/c26-36(34,35)29-16-2-1-12-21(25(33)30-20-13-4-8-18-10-6-15-28-23(18)20)31-24(32)19-11-3-7-17-9-5-14-27-22(17)19/h3-11,13-15,21,29H,1-2,12,16H2,(H,30,33)(H,31,32)(H2,26,34,35)
InChIKeyKHARKPBMXGACGF-UHFFFAOYSA-N
XLogP2.48
TPSA156.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.59
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]quinoline-8-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-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]-1-benzofuran-2-carboxamide
CID 69451737
butyl N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]carbamate
CID 69446621
N-quinolin-8-yl-6-(sulfamoylamino)hexanamide
CID 25216936
benzyl N-[1-[(6-methoxyquinolin-8-yl)amino]-1-oxo-6-(sulfamoylamino)hexan-2-yl]carbamate
CID 74430725
tert-butyl N-[[(5S)-5-[(4-fluorophenyl)methoxycarbonylamino]-6-oxo-6-(quinolin-8-ylamino)hexyl]sulfamoyl]carbamate
CID 71148114
N-[6-(aminosulfanylamino)hexan-2-yl]quinoline-8-carboxamide;N-quinolin-8-ylformamide
CID 143592817
tert-butyl N-[[(5S)-5-(benzylcarbamoylamino)-6-oxo-6-(quinolin-8-ylamino)hexyl]sulfamoyl]carbamate
CID 69407277
8-[[(2S)-2-[(4-fluorophenyl)methoxycarbonylamino]-6-(sulfinoamino)hexanoyl]amino]quinoline
CID 71148112
benzyl N-[(2S)-1-oxo-6-[(2-phenylmethoxyacetyl)amino]-1-(quinolin-8-ylamino)hexan-2-yl]carbamate
CID 11953063
2-methyl-5-phenyl-N-quinolin-8-ylpentanamide
CID 175900489
N-[2-(hydroxymethyl)phenyl]quinoline-8-carboxamide
CID 61497887
N-(4-bromobutan-2-yl)quinoline-8-carboxamide
CID 83178653

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]quinoline-8-carboxamide?
The IUPAC name of N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]quinoline-8-carboxamide (CID 59028912) is N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]quinoline-8-carboxamide.
What is the SMILES notation for N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]quinoline-8-carboxamide?
The canonical SMILES for N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]quinoline-8-carboxamide is NS(=O)(=O)NCCCCC(NC(=O)c1cccc2cccnc12)C(=O)Nc1cccc2cccnc12.
What is the InChIKey of N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]quinoline-8-carboxamide?
The InChIKey is KHARKPBMXGACGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4S/c26-36(34,35)29-16-2-1-12-21(25(33)30-20-13-4-8-18-10-6-15-28-23(18)20)31-24(32)19-11-3-7-17-9-5-14-27-22(17)19/h3-11,13-15,21,29H,1-2,12,16H2,(H,30,33)(H,31,32)(H2,26,34,35).
What are the key properties of N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]quinoline-8-carboxamide?
N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]quinoline-8-carboxamide has a molecular weight of 506.59 g/mol, XLogP of 2.48, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(quinolin-8-ylamino)-6-(sulfamoylamino)hexan-2-yl]quinoline-8-carboxamide is sourced from PubChem (CID 59028912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).