1-acetyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

C23H29N3O4S — CID 55872975

IUPAC1-acetyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NCc3cccc(CN4CCOCC4)c3)ccc21
InChIInChI=1S/C23H29N3O4S/c1-18(27)26-9-3-6-21-15-22(7-8-23(21)26)31(28,29)24-16-19-4-2-5-20(14-19)17-25-10-12-30-13-11-25/h2,4-5,7-8,14-15,24H,3,6,9-13,16-17H2,1H3
InChIKeyTZRFRLOJUVZDAM-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.30
Rot. Bonds6

About 1-acetyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

1-acetyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 55872975) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is 1-acetyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID55872975
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name1-acetyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCC(=O)N1CCCc2cc(S(=O)(=O)NCc3cccc(CN4CCOCC4)c3)ccc21
InChIInChI=1S/C23H29N3O4S/c1-18(27)26-9-3-6-21-15-22(7-8-23(21)26)31(28,29)24-16-19-4-2-5-20(14-19)17-25-10-12-30-13-11-25/h2,4-5,7-8,14-15,24H,3,6,9-13,16-17H2,1H3
InChIKeyTZRFRLOJUVZDAM-UHFFFAOYSA-N
XLogP2.30
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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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-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 26531392
1-acetyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3236116
1-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 26539719
1-acetyl-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17400424
1-acetyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55906101
1-acetyl-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 110292834
1-acetyl-N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 113098326
1-acetyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 47957175
3-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 55815977
1-acetyl-N-(2-methylprop-2-enyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 114616615
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-tert-butylacetamide
CID 112994953

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-acetyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 55872975) is 1-acetyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is CC(=O)N1CCCc2cc(S(=O)(=O)NCc3cccc(CN4CCOCC4)c3)ccc21.
What is the InChIKey of 1-acetyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is TZRFRLOJUVZDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-18(27)26-9-3-6-21-15-22(7-8-23(21)26)31(28,29)24-16-19-4-2-5-20(14-19)17-25-10-12-30-13-11-25/h2,4-5,7-8,14-15,24H,3,6,9-13,16-17H2,1H3.
What are the key properties of 1-acetyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-acetyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 443.57 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 55872975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).