4-[(5-aminoquinolin-8-yl)sulfonylamino]butanamide

C13H16N4O3S — CID 104850380

IUPAC4-[(5-aminoquinolin-8-yl)sulfonylamino]butanamide
SMILESNC(=O)CCCNS(=O)(=O)c1ccc(N)c2cccnc12
InChIInChI=1S/C13H16N4O3S/c14-10-5-6-11(13-9(10)3-1-7-16-13)21(19,20)17-8-2-4-12(15)18/h1,3,5-7,17H,2,4,8,14H2,(H2,15,18)
InChIKeyMHHRAFOTMXISGU-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.36
Rot. Bonds6

About 4-[(5-aminoquinolin-8-yl)sulfonylamino]butanamide

4-[(5-aminoquinolin-8-yl)sulfonylamino]butanamide (PubChem CID 104850380) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-[(5-aminoquinolin-8-yl)sulfonylamino]butanamide.

Molecular Properties

Compound Name4-[(5-aminoquinolin-8-yl)sulfonylamino]butanamide
PubChem CID104850380
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name4-[(5-aminoquinolin-8-yl)sulfonylamino]butanamide
SMILESNC(=O)CCCNS(=O)(=O)c1ccc(N)c2cccnc12
InChIInChI=1S/C13H16N4O3S/c14-10-5-6-11(13-9(10)3-1-7-16-13)21(19,20)17-8-2-4-12(15)18/h1,3,5-7,17H,2,4,8,14H2,(H2,15,18)
InChIKeyMHHRAFOTMXISGU-UHFFFAOYSA-N
XLogP0.36
TPSA128.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(5-aminoquinolin-8-yl)sulfonylamino]propanoate
CID 104850376
N-[2-[(5-aminoquinolin-8-yl)sulfonylamino]ethyl]acetamide
CID 104850364
5-amino-N-[2-(dimethylamino)ethyl]quinoline-8-sulfonamide
CID 104850286
5-amino-N-(2H-tetrazol-5-ylmethyl)quinoline-8-sulfonamide
CID 104850425
5-amino-N-(cyclopentylmethyl)quinoline-8-sulfonamide
CID 104850349
5-amino-N-(1,2-oxazol-5-ylmethyl)quinoline-8-sulfonamide
CID 106413888
5-amino-N-(4-hydroxypentan-2-yl)quinoline-8-sulfonamide
CID 104850522
8-methyl-N-[3-[(8-methylquinolin-5-yl)sulfonylamino]propyl]quinoline-5-sulfonamide
CID 55559982
N-(3-aminopropyl)-5-nitroquinoline-8-sulfonamide
CID 120706703
4-[(2-amino-5-bromophenyl)sulfonylamino]butanamide
CID 54888437
5-[[2-(propylamino)-3-pyridinyl]sulfonylamino]pentanamide
CID 106240943
4-(quinolin-5-ylsulfonylamino)butanethioamide
CID 104773649

Frequently Asked Questions

What is the IUPAC name of 4-[(5-aminoquinolin-8-yl)sulfonylamino]butanamide?
The IUPAC name of 4-[(5-aminoquinolin-8-yl)sulfonylamino]butanamide (CID 104850380) is 4-[(5-aminoquinolin-8-yl)sulfonylamino]butanamide.
What is the SMILES notation for 4-[(5-aminoquinolin-8-yl)sulfonylamino]butanamide?
The canonical SMILES for 4-[(5-aminoquinolin-8-yl)sulfonylamino]butanamide is NC(=O)CCCNS(=O)(=O)c1ccc(N)c2cccnc12.
What is the InChIKey of 4-[(5-aminoquinolin-8-yl)sulfonylamino]butanamide?
The InChIKey is MHHRAFOTMXISGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c14-10-5-6-11(13-9(10)3-1-7-16-13)21(19,20)17-8-2-4-12(15)18/h1,3,5-7,17H,2,4,8,14H2,(H2,15,18).
What are the key properties of 4-[(5-aminoquinolin-8-yl)sulfonylamino]butanamide?
4-[(5-aminoquinolin-8-yl)sulfonylamino]butanamide has a molecular weight of 308.36 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-aminoquinolin-8-yl)sulfonylamino]butanamide is sourced from PubChem (CID 104850380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).