4-[3-[6-(benzenesulfonamido)-2-oxo-3,4-dihydroquinolin-1-yl]propyl]benzenecarboximidamide

C25H26N4O3S — CID 18366884

IUPAC4-[3-[6-(benzenesulfonamido)-2-oxo-3,4-dihydroquinolin-1-yl]propyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CCCN2C(=O)CCc3cc(NS(=O)(=O)c4ccccc4)ccc32)cc1
InChIInChI=1S/C25H26N4O3S/c26-25(27)19-10-8-18(9-11-19)5-4-16-29-23-14-13-21(17-20(23)12-15-24(29)30)28-33(31,32)22-6-2-1-3-7-22/h1-3,6-11,13-14,17,28H,4-5,12,15-16H2,(H3,26,27)
InChIKeyFNODZOLLVVCYHM-UHFFFAOYSA-N
MW462.58 g/mol
LogP3.68
Rot. Bonds8

About 4-[3-[6-(benzenesulfonamido)-2-oxo-3,4-dihydroquinolin-1-yl]propyl]benzenecarboximidamide

4-[3-[6-(benzenesulfonamido)-2-oxo-3,4-dihydroquinolin-1-yl]propyl]benzenecarboximidamide (PubChem CID 18366884) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is 4-[3-[6-(benzenesulfonamido)-2-oxo-3,4-dihydroquinolin-1-yl]propyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[3-[6-(benzenesulfonamido)-2-oxo-3,4-dihydroquinolin-1-yl]propyl]benzenecarboximidamide
PubChem CID18366884
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC Name4-[3-[6-(benzenesulfonamido)-2-oxo-3,4-dihydroquinolin-1-yl]propyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CCCN2C(=O)CCc3cc(NS(=O)(=O)c4ccccc4)ccc32)cc1
InChIInChI=1S/C25H26N4O3S/c26-25(27)19-10-8-18(9-11-19)5-4-16-29-23-14-13-21(17-20(23)12-15-24(29)30)28-33(31,32)22-6-2-1-3-7-22/h1-3,6-11,13-14,17,28H,4-5,12,15-16H2,(H3,26,27)
InChIKeyFNODZOLLVVCYHM-UHFFFAOYSA-N
XLogP3.68
TPSA116.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-(benzenesulfonamido)-2-oxo-3,4-dihydroquinolin-1-yl]propyl]benzenecarboximidamide?
The IUPAC name of 4-[3-[6-(benzenesulfonamido)-2-oxo-3,4-dihydroquinolin-1-yl]propyl]benzenecarboximidamide (CID 18366884) is 4-[3-[6-(benzenesulfonamido)-2-oxo-3,4-dihydroquinolin-1-yl]propyl]benzenecarboximidamide.
What is the SMILES notation for 4-[3-[6-(benzenesulfonamido)-2-oxo-3,4-dihydroquinolin-1-yl]propyl]benzenecarboximidamide?
The canonical SMILES for 4-[3-[6-(benzenesulfonamido)-2-oxo-3,4-dihydroquinolin-1-yl]propyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CCCN2C(=O)CCc3cc(NS(=O)(=O)c4ccccc4)ccc32)cc1.
What is the InChIKey of 4-[3-[6-(benzenesulfonamido)-2-oxo-3,4-dihydroquinolin-1-yl]propyl]benzenecarboximidamide?
The InChIKey is FNODZOLLVVCYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c26-25(27)19-10-8-18(9-11-19)5-4-16-29-23-14-13-21(17-20(23)12-15-24(29)30)28-33(31,32)22-6-2-1-3-7-22/h1-3,6-11,13-14,17,28H,4-5,12,15-16H2,(H3,26,27).
What are the key properties of 4-[3-[6-(benzenesulfonamido)-2-oxo-3,4-dihydroquinolin-1-yl]propyl]benzenecarboximidamide?
4-[3-[6-(benzenesulfonamido)-2-oxo-3,4-dihydroquinolin-1-yl]propyl]benzenecarboximidamide has a molecular weight of 462.58 g/mol, XLogP of 3.68, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-(benzenesulfonamido)-2-oxo-3,4-dihydroquinolin-1-yl]propyl]benzenecarboximidamide is sourced from PubChem (CID 18366884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).