1-acetyl-N-butyl-N-ethyl-3,4-dihydro-2H-quinoline-6-sulfonamide

C17H26N2O3S — CID 3239759

IUPAC1-acetyl-N-butyl-N-ethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O
InChIInChI=1S/C17H26N2O3S/c1-4-6-11-18(5-2)23(21,22)16-9-10-17-15(13-16)8-7-12-19(17)14(3)20/h9-10,13H,4-8,11-12H2,1-3H3
InChIKeyNABCPNHDGMVFAT-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.80
Rot. Bonds6

About 1-acetyl-N-butyl-N-ethyl-3,4-dihydro-2H-quinoline-6-sulfonamide

1-acetyl-N-butyl-N-ethyl-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 3239759) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 1-acetyl-N-butyl-N-ethyl-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-butyl-N-ethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID3239759
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name1-acetyl-N-butyl-N-ethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O
InChIInChI=1S/C17H26N2O3S/c1-4-6-11-18(5-2)23(21,22)16-9-10-17-15(13-16)8-7-12-19(17)14(3)20/h9-10,13H,4-8,11-12H2,1-3H3
InChIKeyNABCPNHDGMVFAT-UHFFFAOYSA-N
XLogP2.80
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-butyl-N-ethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-acetyl-N-butyl-N-ethyl-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 3239759) is 1-acetyl-N-butyl-N-ethyl-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-butyl-N-ethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-butyl-N-ethyl-3,4-dihydro-2H-quinoline-6-sulfonamide is CCCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O.
What is the InChIKey of 1-acetyl-N-butyl-N-ethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is NABCPNHDGMVFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-4-6-11-18(5-2)23(21,22)16-9-10-17-15(13-16)8-7-12-19(17)14(3)20/h9-10,13H,4-8,11-12H2,1-3H3.
What are the key properties of 1-acetyl-N-butyl-N-ethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-acetyl-N-butyl-N-ethyl-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-butyl-N-ethyl-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 3239759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).