N-ethyl-2-(methylamino)-N-propan-2-ylquinoline-6-sulfonamide

C15H21N3O2S — CID 62145303

IUPACN-ethyl-2-(methylamino)-N-propan-2-ylquinoline-6-sulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1ccc2nc(NC)ccc2c1
InChIInChI=1S/C15H21N3O2S/c1-5-18(11(2)3)21(19,20)13-7-8-14-12(10-13)6-9-15(16-4)17-14/h6-11H,5H2,1-4H3,(H,16,17)
InChIKeyNOZDTDFMTKSMNB-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.70
Rot. Bonds5

About N-ethyl-2-(methylamino)-N-propan-2-ylquinoline-6-sulfonamide

N-ethyl-2-(methylamino)-N-propan-2-ylquinoline-6-sulfonamide (PubChem CID 62145303) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-ethyl-2-(methylamino)-N-propan-2-ylquinoline-6-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2-(methylamino)-N-propan-2-ylquinoline-6-sulfonamide
PubChem CID62145303
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-ethyl-2-(methylamino)-N-propan-2-ylquinoline-6-sulfonamide
SMILESCCN(C(C)C)S(=O)(=O)c1ccc2nc(NC)ccc2c1
InChIInChI=1S/C15H21N3O2S/c1-5-18(11(2)3)21(19,20)13-7-8-14-12(10-13)6-9-15(16-4)17-14/h6-11H,5H2,1-4H3,(H,16,17)
InChIKeyNOZDTDFMTKSMNB-UHFFFAOYSA-N
XLogP2.70
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(methylamino)-N-propan-2-ylquinoline-6-sulfonamide?
The IUPAC name of N-ethyl-2-(methylamino)-N-propan-2-ylquinoline-6-sulfonamide (CID 62145303) is N-ethyl-2-(methylamino)-N-propan-2-ylquinoline-6-sulfonamide.
What is the SMILES notation for N-ethyl-2-(methylamino)-N-propan-2-ylquinoline-6-sulfonamide?
The canonical SMILES for N-ethyl-2-(methylamino)-N-propan-2-ylquinoline-6-sulfonamide is CCN(C(C)C)S(=O)(=O)c1ccc2nc(NC)ccc2c1.
What is the InChIKey of N-ethyl-2-(methylamino)-N-propan-2-ylquinoline-6-sulfonamide?
The InChIKey is NOZDTDFMTKSMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-5-18(11(2)3)21(19,20)13-7-8-14-12(10-13)6-9-15(16-4)17-14/h6-11H,5H2,1-4H3,(H,16,17).
What are the key properties of N-ethyl-2-(methylamino)-N-propan-2-ylquinoline-6-sulfonamide?
N-ethyl-2-(methylamino)-N-propan-2-ylquinoline-6-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(methylamino)-N-propan-2-ylquinoline-6-sulfonamide is sourced from PubChem (CID 62145303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).