N-[4-oxo-4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butyl]benzamide

C24H29N3O4S — CID 55433799

IUPACN-[4-oxo-4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butyl]benzamide
SMILESO=C(NCCCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21)c1ccccc1
InChIInChI=1S/C24H29N3O4S/c28-23(11-6-14-25-24(29)19-8-2-1-3-9-19)27-17-7-10-20-18-21(12-13-22(20)27)32(30,31)26-15-4-5-16-26/h1-3,8-9,12-13,18H,4-7,10-11,14-17H2,(H,25,29)
InChIKeyUMXDHTZWKHRWBQ-UHFFFAOYSA-N
MW455.58 g/mol
LogP2.96
Rot. Bonds7

About N-[4-oxo-4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butyl]benzamide

N-[4-oxo-4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butyl]benzamide (PubChem CID 55433799) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-[4-oxo-4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butyl]benzamide.

Molecular Properties

Compound NameN-[4-oxo-4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butyl]benzamide
PubChem CID55433799
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC NameN-[4-oxo-4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butyl]benzamide
SMILESO=C(NCCCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21)c1ccccc1
InChIInChI=1S/C24H29N3O4S/c28-23(11-6-14-25-24(29)19-8-2-1-3-9-19)27-17-7-10-20-18-21(12-13-22(20)27)32(30,31)26-15-4-5-16-26/h1-3,8-9,12-13,18H,4-7,10-11,14-17H2,(H,25,29)
InChIKeyUMXDHTZWKHRWBQ-UHFFFAOYSA-N
XLogP2.96
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 18096105
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 34803748
N-[4-oxo-4-(3-piperidin-1-ylsulfonylanilino)butyl]benzamide
CID 31009310
1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 134030094
N-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]ethyl]benzamide
CID 55542089
3-methyl-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 134060030
2-ethoxy-N-[4-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]benzamide
CID 55873308
N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688937
N-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
CID 24660007
2-(2,3-dichlorophenoxy)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 24526023
2-(3-methylphenoxy)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 26466084
(3-chlorophenyl)-(6-piperidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17248252

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butyl]benzamide?
The IUPAC name of N-[4-oxo-4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butyl]benzamide (CID 55433799) is N-[4-oxo-4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butyl]benzamide.
What is the SMILES notation for N-[4-oxo-4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butyl]benzamide?
The canonical SMILES for N-[4-oxo-4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butyl]benzamide is O=C(NCCCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21)c1ccccc1.
What is the InChIKey of N-[4-oxo-4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butyl]benzamide?
The InChIKey is UMXDHTZWKHRWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c28-23(11-6-14-25-24(29)19-8-2-1-3-9-19)27-17-7-10-20-18-21(12-13-22(20)27)32(30,31)26-15-4-5-16-26/h1-3,8-9,12-13,18H,4-7,10-11,14-17H2,(H,25,29).
What are the key properties of N-[4-oxo-4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butyl]benzamide?
N-[4-oxo-4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butyl]benzamide has a molecular weight of 455.58 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butyl]benzamide is sourced from PubChem (CID 55433799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).