4,5-dichloro-2-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyridazin-3-one

C20H17Cl2N3O4S — CID 31781989

IUPAC4,5-dichloro-2-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyridazin-3-one
SMILESCOc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C20H17Cl2N3O4S/c1-29-15-6-9-18-13(11-15)3-2-10-24(18)30(27,28)16-7-4-14(5-8-16)25-20(26)19(22)17(21)12-23-25/h4-9,11-12H,2-3,10H2,1H3
InChIKeyFVUQQILIYMBUOK-UHFFFAOYSA-N
MW466.35 g/mol
LogP3.69
Rot. Bonds4

About 4,5-dichloro-2-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyridazin-3-one

4,5-dichloro-2-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyridazin-3-one (PubChem CID 31781989) has the molecular formula C20H17Cl2N3O4S and a molecular weight of 466.35 g/mol. Its IUPAC name is 4,5-dichloro-2-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyridazin-3-one
PubChem CID31781989
Molecular FormulaC20H17Cl2N3O4S
Molecular Weight466.35 g/mol
Exact Mass465.03
IUPAC Name4,5-dichloro-2-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyridazin-3-one
SMILESCOc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C20H17Cl2N3O4S/c1-29-15-6-9-18-13(11-15)3-2-10-24(18)30(27,28)16-7-4-14(5-8-16)25-20(26)19(22)17(21)12-23-25/h4-9,11-12H,2-3,10H2,1H3
InChIKeyFVUQQILIYMBUOK-UHFFFAOYSA-N
XLogP3.69
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dichloro-2-[4-[(6-nitro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]pyridazin-3-one
CID 31535113
4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzamide
CID 18125908
5-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-1-methyl-3H-indol-2-one
CID 24602697
4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 27443628
6-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]chromen-2-one
CID 30713933
5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3575663
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-6-methoxy-3,4-dihydro-2H-quinoline
CID 18125897
4,5-dichloro-2-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]pyridazin-3-one
CID 31535145
1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 100770223
2-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenoxy]acetic acid
CID 39832528
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropane-1-sulfonamide
CID 43955928
N-(4-chloro-2-fluorophenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide
CID 24662160

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyridazin-3-one (CID 31781989) is 4,5-dichloro-2-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyridazin-3-one is COc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1.
What is the InChIKey of 4,5-dichloro-2-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyridazin-3-one?
The InChIKey is FVUQQILIYMBUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O4S/c1-29-15-6-9-18-13(11-15)3-2-10-24(18)30(27,28)16-7-4-14(5-8-16)25-20(26)19(22)17(21)12-23-25/h4-9,11-12H,2-3,10H2,1H3.
What are the key properties of 4,5-dichloro-2-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyridazin-3-one?
4,5-dichloro-2-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyridazin-3-one has a molecular weight of 466.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyridazin-3-one is sourced from PubChem (CID 31781989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).