1-acetyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

C24H25N3O4S — CID 55906101

IUPAC1-acetyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccnc(OCc4ccccc4)c3)ccc21
InChIInChI=1S/C24H25N3O4S/c1-18(28)27-13-5-8-21-15-22(9-10-23(21)27)32(29,30)26-16-20-11-12-25-24(14-20)31-17-19-6-3-2-4-7-19/h2-4,6-7,9-12,14-15,26H,5,8,13,16-17H2,1H3
InChIKeyQCEOKYRALAKATD-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.44
Rot. Bonds7

About 1-acetyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

1-acetyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 55906101) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 1-acetyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID55906101
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name1-acetyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccnc(OCc4ccccc4)c3)ccc21
InChIInChI=1S/C24H25N3O4S/c1-18(28)27-13-5-8-21-15-22(9-10-23(21)27)32(29,30)26-16-20-11-12-25-24(14-20)31-17-19-6-3-2-4-7-19/h2-4,6-7,9-12,14-15,26H,5,8,13,16-17H2,1H3
InChIKeyQCEOKYRALAKATD-UHFFFAOYSA-N
XLogP3.44
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-acetyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide with MolForge

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Related Compounds

1-acetyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3236116
1-acetyl-N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 113098326
1-acetyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 55874007
1-acetyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55872975
1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3640433
1-acetyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17400424
N-[2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]ethyl]benzamide
CID 55542089
1-acetyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 47957175
1-acetyl-N-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 114616615
1-acetyl-N-(2-aminooxyethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39453809
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-tert-butylacetamide
CID 112994953
1-acetyl-N-[(2R)-2-hydroxypropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39452518

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-acetyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 55906101) is 1-acetyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccnc(OCc4ccccc4)c3)ccc21.
What is the InChIKey of 1-acetyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is QCEOKYRALAKATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-18(28)27-13-5-8-21-15-22(9-10-23(21)27)32(29,30)26-16-20-11-12-25-24(14-20)31-17-19-6-3-2-4-7-19/h2-4,6-7,9-12,14-15,26H,5,8,13,16-17H2,1H3.
What are the key properties of 1-acetyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-acetyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 451.55 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 55906101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).