1-acetyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

C18H26N2O5S — CID 110292834

IUPAC1-acetyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NCC3(CO)CCOCC3)ccc21
InChIInChI=1S/C18H26N2O5S/c1-14(22)20-8-2-3-15-11-16(4-5-17(15)20)26(23,24)19-12-18(13-21)6-9-25-10-7-18/h4-5,11,19,21H,2-3,6-10,12-13H2,1H3
InChIKeyDYFZSALACCPRHE-UHFFFAOYSA-N
MW382.48 g/mol
LogP1.05
Rot. Bonds5

About 1-acetyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

1-acetyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 110292834) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is 1-acetyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID110292834
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name1-acetyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NCC3(CO)CCOCC3)ccc21
InChIInChI=1S/C18H26N2O5S/c1-14(22)20-8-2-3-15-11-16(4-5-17(15)20)26(23,24)19-12-18(13-21)6-9-25-10-7-18/h4-5,11,19,21H,2-3,6-10,12-13H2,1H3
InChIKeyDYFZSALACCPRHE-UHFFFAOYSA-N
XLogP1.05
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 113098078
1-acetyl-N-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 114616615
1-acetyl-N-[(2R)-2-hydroxypropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39452518
1-acetyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55872975
1-acetyl-N-(2-aminooxyethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39453809
1-acetyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3236116
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-tert-butylacetamide
CID 112994953
1-[6-[[(3aR,7aR)-7a-(hydroxymethyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]sulfonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 137337224
1-acetyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17400424
1-acetyl-N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 113098326
1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60681169
sodium 1-acetyl-3,4-dihydro-2H-quinoline-6-sulfonate
CID 112704982

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-acetyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 110292834) is 1-acetyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is CC(=O)N1CCCc2cc(S(=O)(=O)NCC3(CO)CCOCC3)ccc21.
What is the InChIKey of 1-acetyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is DYFZSALACCPRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-14(22)20-8-2-3-15-11-16(4-5-17(15)20)26(23,24)19-12-18(13-21)6-9-25-10-7-18/h4-5,11,19,21H,2-3,6-10,12-13H2,1H3.
What are the key properties of 1-acetyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-acetyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 382.48 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 110292834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).