1-(6,7-dimethoxycinnolin-4-yl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-5-sulfonamide

C21H24N4O4S — CID 11553710

IUPAC1-(6,7-dimethoxycinnolin-4-yl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-5-sulfonamide
SMILESCOc1cc2nncc(N3CCCc4c3cccc4S(=O)(=O)N(C)C)c2cc1OC
InChIInChI=1S/C21H24N4O4S/c1-24(2)30(26,27)21-9-5-8-17-14(21)7-6-10-25(17)18-13-22-23-16-12-20(29-4)19(28-3)11-15(16)18/h5,8-9,11-13H,6-7,10H2,1-4H3
InChIKeyLSLXTPJDYMMHPI-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.98
Rot. Bonds5

About 1-(6,7-dimethoxycinnolin-4-yl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-5-sulfonamide

1-(6,7-dimethoxycinnolin-4-yl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-5-sulfonamide (PubChem CID 11553710) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is 1-(6,7-dimethoxycinnolin-4-yl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-5-sulfonamide.

Molecular Properties

Compound Name1-(6,7-dimethoxycinnolin-4-yl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-5-sulfonamide
PubChem CID11553710
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Name1-(6,7-dimethoxycinnolin-4-yl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-5-sulfonamide
SMILESCOc1cc2nncc(N3CCCc4c3cccc4S(=O)(=O)N(C)C)c2cc1OC
InChIInChI=1S/C21H24N4O4S/c1-24(2)30(26,27)21-9-5-8-17-14(21)7-6-10-25(17)18-13-22-23-16-12-20(29-4)19(28-3)11-15(16)18/h5,8-9,11-13H,6-7,10H2,1-4H3
InChIKeyLSLXTPJDYMMHPI-UHFFFAOYSA-N
XLogP2.98
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(6,7-dimethoxycinnolin-4-yl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-5-sulfonamide with MolForge

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Related Compounds

1-(6,7-dimethoxycinnolin-4-yl)-N-ethyl-2,3-dihydroindole-5-sulfonamide
CID 69186068
methyl 2-(6,7-dimethoxycinnolin-4-yl)-3,4-dihydro-1H-isoquinoline-6-carboxylate
CID 11501765
6,7-dimethoxy-4-(4-piperazin-1-ylindazol-1-yl)cinnoline
CID 24748431
6,7-dimethoxy-4-[8-(2-methoxyethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]cinnoline
CID 11675601
4-[1-(6,7-dimethoxycinnolin-4-yl)-2,3-dihydroindol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 11689899
6,7-dimethoxy-4-(7-nitroso-3,4-dihydro-1H-isoquinolin-2-yl)cinnoline
CID 143198853
1-[1-(6,7-dimethoxycinnolin-4-yl)piperidin-3-yl]pyridin-2-one
CID 24748467
4-methoxy-N,N-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 38015477
5-amino-2-methoxy-N,N,4-trimethylbenzenesulfonamide
CID 79973622
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9474100
6,7-dimethoxy-4-methylcinnoline;propane
CID 163274775
6,7-dimethoxy-4-[3-methyl-3-[2-(sulfamoylamino)ethyl]azetidin-1-yl]cinnoline
CID 163275175

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxycinnolin-4-yl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-5-sulfonamide?
The IUPAC name of 1-(6,7-dimethoxycinnolin-4-yl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-5-sulfonamide (CID 11553710) is 1-(6,7-dimethoxycinnolin-4-yl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-5-sulfonamide.
What is the SMILES notation for 1-(6,7-dimethoxycinnolin-4-yl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-5-sulfonamide?
The canonical SMILES for 1-(6,7-dimethoxycinnolin-4-yl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-5-sulfonamide is COc1cc2nncc(N3CCCc4c3cccc4S(=O)(=O)N(C)C)c2cc1OC.
What is the InChIKey of 1-(6,7-dimethoxycinnolin-4-yl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-5-sulfonamide?
The InChIKey is LSLXTPJDYMMHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-24(2)30(26,27)21-9-5-8-17-14(21)7-6-10-25(17)18-13-22-23-16-12-20(29-4)19(28-3)11-15(16)18/h5,8-9,11-13H,6-7,10H2,1-4H3.
What are the key properties of 1-(6,7-dimethoxycinnolin-4-yl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-5-sulfonamide?
1-(6,7-dimethoxycinnolin-4-yl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-5-sulfonamide has a molecular weight of 428.51 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxycinnolin-4-yl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-5-sulfonamide is sourced from PubChem (CID 11553710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).