5,7-dichloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-3,4-dihydro-2H-quinoline

C20H23Cl2N3O3S — CID 18354548

IUPAC5,7-dichloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(S(=O)(=O)N2CCCc3c(Cl)cc(Cl)cc32)cc1N1CCNCC1
InChIInChI=1S/C20H23Cl2N3O3S/c1-28-20-5-4-15(13-19(20)24-9-6-23-7-10-24)29(26,27)25-8-2-3-16-17(22)11-14(21)12-18(16)25/h4-5,11-13,23H,2-3,6-10H2,1H3
InChIKeyBPIIEZVZIXRCMW-UHFFFAOYSA-N
MW456.40 g/mol
LogP3.55
Rot. Bonds4

About 5,7-dichloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-3,4-dihydro-2H-quinoline

5,7-dichloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 18354548) has the molecular formula C20H23Cl2N3O3S and a molecular weight of 456.40 g/mol. Its IUPAC name is 5,7-dichloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name5,7-dichloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID18354548
Molecular FormulaC20H23Cl2N3O3S
Molecular Weight456.40 g/mol
Exact Mass455.08
IUPAC Name5,7-dichloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCOc1ccc(S(=O)(=O)N2CCCc3c(Cl)cc(Cl)cc32)cc1N1CCNCC1
InChIInChI=1S/C20H23Cl2N3O3S/c1-28-20-5-4-15(13-19(20)24-9-6-23-7-10-24)29(26,27)25-8-2-3-16-17(22)11-14(21)12-18(16)25/h4-5,11-13,23H,2-3,6-10H2,1H3
InChIKeyBPIIEZVZIXRCMW-UHFFFAOYSA-N
XLogP3.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,7-dichloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-3,4-dihydro-2H-quinoline with MolForge

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Related Compounds

SB-399885
CID 6918649
5,8-dichloro-2-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 17940169
N-(3,5-dichlorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940212
4-methoxy-3-piperazin-1-yl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 17940224
N-[5-[(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 71451887
N-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 71455432
N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 71457214
N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methoxyphenyl]piperidin-4-amine;hydrochloride
CID 71462617
4-methoxy-3-piperazin-1-yl-N-(2,3,5-trichlorophenyl)benzenesulfonamide
CID 10433930
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940113
N-(3-chlorophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940155
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940185

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 5,7-dichloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-3,4-dihydro-2H-quinoline (CID 18354548) is 5,7-dichloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 5,7-dichloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 5,7-dichloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-3,4-dihydro-2H-quinoline is COc1ccc(S(=O)(=O)N2CCCc3c(Cl)cc(Cl)cc32)cc1N1CCNCC1.
What is the InChIKey of 5,7-dichloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is BPIIEZVZIXRCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O3S/c1-28-20-5-4-15(13-19(20)24-9-6-23-7-10-24)29(26,27)25-8-2-3-16-17(22)11-14(21)12-18(16)25/h4-5,11-13,23H,2-3,6-10H2,1H3.
What are the key properties of 5,7-dichloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-3,4-dihydro-2H-quinoline?
5,7-dichloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 456.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-1-(4-methoxy-3-piperazin-1-ylphenyl)sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 18354548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).