3,4-dihydro-2H-quinoline-1-carbaldehyde;1-formyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride

C20H21ClN2O4S — CID 158071157

IUPAC3,4-dihydro-2H-quinoline-1-carbaldehyde;1-formyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride
SMILESO=CN1CCCc2cc(S(=O)(=O)Cl)ccc21.O=CN1CCCc2ccccc21
InChIInChI=1S/C10H10ClNO3S.C10H11NO/c11-16(14,15)9-3-4-10-8(6-9)2-1-5-12(10)7-13;12-8-11-7-3-5-9-4-1-2-6-10(9)11/h3-4,6-7H,1-2,5H2;1-2,4,6,8H,3,5,7H2
InChIKeyFLVIXWPFVPZMEY-UHFFFAOYSA-N
MW420.92 g/mol
LogP3.12
Rot. Bonds3

About 3,4-dihydro-2H-quinoline-1-carbaldehyde;1-formyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride

3,4-dihydro-2H-quinoline-1-carbaldehyde;1-formyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride (PubChem CID 158071157) has the molecular formula C20H21ClN2O4S and a molecular weight of 420.92 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinoline-1-carbaldehyde;1-formyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride.

Molecular Properties

Compound Name3,4-dihydro-2H-quinoline-1-carbaldehyde;1-formyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride
PubChem CID158071157
Molecular FormulaC20H21ClN2O4S
Molecular Weight420.92 g/mol
Exact Mass420.09
IUPAC Name3,4-dihydro-2H-quinoline-1-carbaldehyde;1-formyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride
SMILESO=CN1CCCc2cc(S(=O)(=O)Cl)ccc21.O=CN1CCCc2ccccc21
InChIInChI=1S/C10H10ClNO3S.C10H11NO/c11-16(14,15)9-3-4-10-8(6-9)2-1-5-12(10)7-13;12-8-11-7-3-5-9-4-1-2-6-10(9)11/h3-4,6-7H,1-2,5H2;1-2,4,6,8H,3,5,7H2
InChIKeyFLVIXWPFVPZMEY-UHFFFAOYSA-N
XLogP3.12
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.92
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3,4-dihydro-2H-quinoline-1-carbaldehyde;1-formyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride with MolForge

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Related Compounds

1-formyl-2,3-dihydroindole-5-sulfonamide
CID 89385398
3,4-dihydro-2H-quinoline-1-carbaldehyde;1,2,3,4-tetrahydroquinoline
CID 157192076
6-(1,3-thiazol-2-ylmethylsulfonyl)-3,4-dihydro-2H-quinoline-1-carbaldehyde
CID 58182290
2,3-dihydro-1,4-benzodioxine-6-sulfonyl chloride;5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-methylsulfonyl-2,3-dihydroindole;2,3-dihydro-1H-indene;methanesulfonyl chloride;bis(1-methylsulfonyl-2,3-dihydroindole);trichloroalumane
CID 160585756
ethane;1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinoline-6-sulfonyl chloride
CID 143531326
1-butanoyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride
CID 82021448
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
1-propan-2-yl-3,4-dihydro-2H-quinoline-7-sulfonyl chloride
CID 84713685
1-methyl-2,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
CID 84709963
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
3-bromo-4-fluorobenzenesulfonyl chloride;1-(3-bromo-4-fluorophenyl)sulfonyl-2,3-dihydroindole
CID 158330118
cyclopropyl-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2,3-dihydroindol-1-yl]methanone
CID 3244754

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinoline-1-carbaldehyde;1-formyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride?
The IUPAC name of 3,4-dihydro-2H-quinoline-1-carbaldehyde;1-formyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride (CID 158071157) is 3,4-dihydro-2H-quinoline-1-carbaldehyde;1-formyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride.
What is the SMILES notation for 3,4-dihydro-2H-quinoline-1-carbaldehyde;1-formyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride?
The canonical SMILES for 3,4-dihydro-2H-quinoline-1-carbaldehyde;1-formyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride is O=CN1CCCc2cc(S(=O)(=O)Cl)ccc21.O=CN1CCCc2ccccc21.
What is the InChIKey of 3,4-dihydro-2H-quinoline-1-carbaldehyde;1-formyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride?
The InChIKey is FLVIXWPFVPZMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3S.C10H11NO/c11-16(14,15)9-3-4-10-8(6-9)2-1-5-12(10)7-13;12-8-11-7-3-5-9-4-1-2-6-10(9)11/h3-4,6-7H,1-2,5H2;1-2,4,6,8H,3,5,7H2.
What are the key properties of 3,4-dihydro-2H-quinoline-1-carbaldehyde;1-formyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride?
3,4-dihydro-2H-quinoline-1-carbaldehyde;1-formyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride has a molecular weight of 420.92 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinoline-1-carbaldehyde;1-formyl-3,4-dihydro-2H-quinoline-6-sulfonyl chloride is sourced from PubChem (CID 158071157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).