4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)-N,N-dipropylbenzenesulfonamide

C22H26N2O4S — CID 1106122

IUPAC4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCC(=O)c3ccccc32)cc1
InChIInChI=1S/C22H26N2O4S/c1-3-14-23(15-4-2)29(27,28)18-11-9-17(10-12-18)22(26)24-16-13-21(25)19-7-5-6-8-20(19)24/h5-12H,3-4,13-16H2,1-2H3
InChIKeyCKKANPMDHKFVSC-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.73
Rot. Bonds7

About 4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)-N,N-dipropylbenzenesulfonamide

4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)-N,N-dipropylbenzenesulfonamide (PubChem CID 1106122) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is 4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)-N,N-dipropylbenzenesulfonamide
PubChem CID1106122
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCC(=O)c3ccccc32)cc1
InChIInChI=1S/C22H26N2O4S/c1-3-14-23(15-4-2)29(27,28)18-11-9-17(10-12-18)22(26)24-16-13-21(25)19-7-5-6-8-20(19)24/h5-12H,3-4,13-16H2,1-2H3
InChIKeyCKKANPMDHKFVSC-UHFFFAOYSA-N
XLogP3.73
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(6-fluoro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl]benzenesulfonamide
CID 5155717
1-Tosyl-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one
CID 266852
N-{2-[4-(dimethylsulfamoyl)phenyl]propan-2-yl}-2-fluoro-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 16748527
1-Benzyl-3-isopropyl-1,2,3,4-tetrahydro-2lambda~6~,1,3-benzothiadiazine-2,2,4-trione
CID 2825491
1-{3-Fluoro-4-[4-(toluene-4-sulfonyl)-piperazin-1-yl]-phenyl}-butan-1-one
CID 619281
N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 1041096
2-[methyl(methylsulfonyl)amino]-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1228113
N-[2-(cyclohexen-1-yl)ethyl]-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 5307635
4-(3,4-Dihydroquinolin-1(2h)-Ylcarbonyl)benzenesulfonamide
CID 91827503
N-Benzyl-2-(toluene-4-sulfonylamino)-benzamide
CID 3545567
1-benzyl-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398822
4-[2-(4-Oxo-2-sulfanyl-3,4-dihydroquinazolin-3-yl)ethyl]benzene-1-sulfonamide
CID 2470552

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)-N,N-dipropylbenzenesulfonamide (CID 1106122) is 4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCC(=O)c3ccccc32)cc1.
What is the InChIKey of 4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)-N,N-dipropylbenzenesulfonamide?
The InChIKey is CKKANPMDHKFVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-3-14-23(15-4-2)29(27,28)18-11-9-17(10-12-18)22(26)24-16-13-21(25)19-7-5-6-8-20(19)24/h5-12H,3-4,13-16H2,1-2H3.
What are the key properties of 4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)-N,N-dipropylbenzenesulfonamide?
4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)-N,N-dipropylbenzenesulfonamide has a molecular weight of 414.53 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-2,3-dihydroquinoline-1-carbonyl)-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 1106122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).