8-methoxy-N,N-bis(2-methylpropyl)quinoline-5-sulfonamide

C18H26N2O3S — CID 1266532

IUPAC8-methoxy-N,N-bis(2-methylpropyl)quinoline-5-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)c2cccnc12
InChIInChI=1S/C18H26N2O3S/c1-13(2)11-20(12-14(3)4)24(21,22)17-9-8-16(23-5)18-15(17)7-6-10-19-18/h6-10,13-14H,11-12H2,1-5H3
InChIKeyVZQBLCHPSTWKPT-UHFFFAOYSA-N
MW350.48 g/mol
LogP3.55
Rot. Bonds7

About 8-methoxy-N,N-bis(2-methylpropyl)quinoline-5-sulfonamide

8-methoxy-N,N-bis(2-methylpropyl)quinoline-5-sulfonamide (PubChem CID 1266532) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is 8-methoxy-N,N-bis(2-methylpropyl)quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-methoxy-N,N-bis(2-methylpropyl)quinoline-5-sulfonamide
PubChem CID1266532
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name8-methoxy-N,N-bis(2-methylpropyl)quinoline-5-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)c2cccnc12
InChIInChI=1S/C18H26N2O3S/c1-13(2)11-20(12-14(3)4)24(21,22)17-9-8-16(23-5)18-15(17)7-6-10-19-18/h6-10,13-14H,11-12H2,1-5H3
InChIKeyVZQBLCHPSTWKPT-UHFFFAOYSA-N
XLogP3.55
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N,N-bis(2-methylpropyl)quinoline-5-sulfonamide?
The IUPAC name of 8-methoxy-N,N-bis(2-methylpropyl)quinoline-5-sulfonamide (CID 1266532) is 8-methoxy-N,N-bis(2-methylpropyl)quinoline-5-sulfonamide.
What is the SMILES notation for 8-methoxy-N,N-bis(2-methylpropyl)quinoline-5-sulfonamide?
The canonical SMILES for 8-methoxy-N,N-bis(2-methylpropyl)quinoline-5-sulfonamide is COc1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)c2cccnc12.
What is the InChIKey of 8-methoxy-N,N-bis(2-methylpropyl)quinoline-5-sulfonamide?
The InChIKey is VZQBLCHPSTWKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-13(2)11-20(12-14(3)4)24(21,22)17-9-8-16(23-5)18-15(17)7-6-10-19-18/h6-10,13-14H,11-12H2,1-5H3.
What are the key properties of 8-methoxy-N,N-bis(2-methylpropyl)quinoline-5-sulfonamide?
8-methoxy-N,N-bis(2-methylpropyl)quinoline-5-sulfonamide has a molecular weight of 350.48 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N,N-bis(2-methylpropyl)quinoline-5-sulfonamide is sourced from PubChem (CID 1266532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).