N-ethyl-8-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]quinoline-5-sulfonamide

C24H29N3O3S — CID 98726467

IUPACN-ethyl-8-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]quinoline-5-sulfonamide
SMILESCCN([C@@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(OC)c2ncccc12
InChIInChI=1S/C24H29N3O3S/c1-4-27(20-14-16-26(17-20)18(2)19-9-6-5-7-10-19)31(28,29)23-13-12-22(30-3)24-21(23)11-8-15-25-24/h5-13,15,18,20H,4,14,16-17H2,1-3H3/t18-,20-/m1/s1
InChIKeyOVIMEPFOKPMGPG-UYAOXDASSA-N
MW439.58 g/mol
LogP4.09
Rot. Bonds7

About N-ethyl-8-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]quinoline-5-sulfonamide

N-ethyl-8-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]quinoline-5-sulfonamide (PubChem CID 98726467) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-ethyl-8-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]quinoline-5-sulfonamide.

Molecular Properties

Compound NameN-ethyl-8-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]quinoline-5-sulfonamide
PubChem CID98726467
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-ethyl-8-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]quinoline-5-sulfonamide
SMILESCCN([C@@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(OC)c2ncccc12
InChIInChI=1S/C24H29N3O3S/c1-4-27(20-14-16-26(17-20)18(2)19-9-6-5-7-10-19)31(28,29)23-13-12-22(30-3)24-21(23)11-8-15-25-24/h5-13,15,18,20H,4,14,16-17H2,1-3H3/t18-,20-/m1/s1
InChIKeyOVIMEPFOKPMGPG-UYAOXDASSA-N
XLogP4.09
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]quinoline-5-sulfonamide?
The IUPAC name of N-ethyl-8-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]quinoline-5-sulfonamide (CID 98726467) is N-ethyl-8-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]quinoline-5-sulfonamide.
What is the SMILES notation for N-ethyl-8-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]quinoline-5-sulfonamide?
The canonical SMILES for N-ethyl-8-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]quinoline-5-sulfonamide is CCN([C@@H]1CCN([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(OC)c2ncccc12.
What is the InChIKey of N-ethyl-8-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]quinoline-5-sulfonamide?
The InChIKey is OVIMEPFOKPMGPG-UYAOXDASSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-4-27(20-14-16-26(17-20)18(2)19-9-6-5-7-10-19)31(28,29)23-13-12-22(30-3)24-21(23)11-8-15-25-24/h5-13,15,18,20H,4,14,16-17H2,1-3H3/t18-,20-/m1/s1.
What are the key properties of N-ethyl-8-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]quinoline-5-sulfonamide?
N-ethyl-8-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]quinoline-5-sulfonamide has a molecular weight of 439.58 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-methoxy-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]quinoline-5-sulfonamide is sourced from PubChem (CID 98726467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).