2-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-6-sulfonamide

C15H20N2O4S — CID 22548573

IUPAC2-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-6-sulfonamide
SMILESCC(C)OCCCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C15H20N2O4S/c1-11(2)21-9-3-8-16-22(19,20)13-5-6-14-12(10-13)4-7-15(18)17-14/h4-7,10-11,16H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyRJZXRDWMJFBDSW-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.62
Rot. Bonds7

About 2-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-6-sulfonamide

2-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-6-sulfonamide (PubChem CID 22548573) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-6-sulfonamide
PubChem CID22548573
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name2-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-6-sulfonamide
SMILESCC(C)OCCCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1
InChIInChI=1S/C15H20N2O4S/c1-11(2)21-9-3-8-16-22(19,20)13-5-6-14-12(10-13)4-7-15(18)17-14/h4-7,10-11,16H,3,8-9H2,1-2H3,(H,17,18)
InChIKeyRJZXRDWMJFBDSW-UHFFFAOYSA-N
XLogP1.62
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(azepan-1-yl)propyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 22548591
4-methyl-2-[[(2-oxo-1H-quinolin-6-yl)sulfonylamino]methyl]pentanoic acid
CID 120660467
2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinoline-6-sulfonamide
CID 22576547
N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 22548598
4-hydroxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106011750
N-(2-fluorophenyl)-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide
CID 46275018
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 46361480
4-amino-3-methoxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106006616
N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-sulfonamide
CID 102692436
N-cyclohexyl-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide
CID 46275014
3-(aminomethyl)-4-chloro-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106094494
4-fluoro-3-(hydroxymethyl)-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106014466

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-6-sulfonamide?
The IUPAC name of 2-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-6-sulfonamide (CID 22548573) is 2-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-6-sulfonamide?
The canonical SMILES for 2-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-6-sulfonamide is CC(C)OCCCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1.
What is the InChIKey of 2-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-6-sulfonamide?
The InChIKey is RJZXRDWMJFBDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-11(2)21-9-3-8-16-22(19,20)13-5-6-14-12(10-13)4-7-15(18)17-14/h4-7,10-11,16H,3,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-6-sulfonamide?
2-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-6-sulfonamide has a molecular weight of 324.40 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 22548573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).