3-pyridin-3-ylpropyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

C24H24N2O4S — CID 55333601

IUPAC3-pyridin-3-ylpropyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
SMILESO=C(OCCCc1cccnc1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C24H24N2O4S/c27-24(30-16-6-8-19-7-4-14-25-18-19)21-10-3-12-22(17-21)31(28,29)26-15-5-11-20-9-1-2-13-23(20)26/h1-4,7,9-10,12-14,17-18H,5-6,8,11,15-16H2
InChIKeyUKFMHBBNBWBYCF-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.01
Rot. Bonds7

About 3-pyridin-3-ylpropyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate

3-pyridin-3-ylpropyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate (PubChem CID 55333601) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 3-pyridin-3-ylpropyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate.

Molecular Properties

Compound Name3-pyridin-3-ylpropyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
PubChem CID55333601
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name3-pyridin-3-ylpropyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
SMILESO=C(OCCCc1cccnc1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C24H24N2O4S/c27-24(30-16-6-8-19-7-4-14-25-18-19)21-10-3-12-22(17-21)31(28,29)26-15-5-11-20-9-1-2-13-23(20)26/h1-4,7,9-10,12-14,17-18H,5-6,8,11,15-16H2
InChIKeyUKFMHBBNBWBYCF-UHFFFAOYSA-N
XLogP4.01
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-benzamido-2-oxoethyl) 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 55314509
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 3955976
[(1R)-2-oxocyclohexyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 8663385
pyridin-2-ylmethyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 40711757
2-oxopropyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 5122086
3-pyridin-3-ylpropyl 3-(1-phenylethylsulfamoyl)benzoate
CID 78835869
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2642182
3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2477308
(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 55422843
[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 23911743
3-[(6-ethoxycarbonyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid
CID 71853034
ethyl 4-[2-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 2426968

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-ylpropyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate?
The IUPAC name of 3-pyridin-3-ylpropyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate (CID 55333601) is 3-pyridin-3-ylpropyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate.
What is the SMILES notation for 3-pyridin-3-ylpropyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate?
The canonical SMILES for 3-pyridin-3-ylpropyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate is O=C(OCCCc1cccnc1)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 3-pyridin-3-ylpropyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate?
The InChIKey is UKFMHBBNBWBYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c27-24(30-16-6-8-19-7-4-14-25-18-19)21-10-3-12-22(17-21)31(28,29)26-15-5-11-20-9-1-2-13-23(20)26/h1-4,7,9-10,12-14,17-18H,5-6,8,11,15-16H2.
What are the key properties of 3-pyridin-3-ylpropyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate?
3-pyridin-3-ylpropyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate has a molecular weight of 436.53 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-ylpropyl 3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate is sourced from PubChem (CID 55333601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).