8-(4-chlorophenyl)sulfonyl-9-(3-methylpiperidin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline

C23H23ClN2O4S — CID 18559531

IUPAC8-(4-chlorophenyl)sulfonyl-9-(3-methylpiperidin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
SMILESCC1CCCN(c2c(S(=O)(=O)c3ccc(Cl)cc3)cnc3cc4c(cc23)OCCO4)C1
InChIInChI=1S/C23H23ClN2O4S/c1-15-3-2-8-26(14-15)23-18-11-20-21(30-10-9-29-20)12-19(18)25-13-22(23)31(27,28)17-6-4-16(24)5-7-17/h4-7,11-13,15H,2-3,8-10,14H2,1H3
InChIKeyTVEDWRZIBALXHX-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.73
Rot. Bonds3

About 8-(4-chlorophenyl)sulfonyl-9-(3-methylpiperidin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline

8-(4-chlorophenyl)sulfonyl-9-(3-methylpiperidin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline (PubChem CID 18559531) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is 8-(4-chlorophenyl)sulfonyl-9-(3-methylpiperidin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline.

Molecular Properties

Compound Name8-(4-chlorophenyl)sulfonyl-9-(3-methylpiperidin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
PubChem CID18559531
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC Name8-(4-chlorophenyl)sulfonyl-9-(3-methylpiperidin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
SMILESCC1CCCN(c2c(S(=O)(=O)c3ccc(Cl)cc3)cnc3cc4c(cc23)OCCO4)C1
InChIInChI=1S/C23H23ClN2O4S/c1-15-3-2-8-26(14-15)23-18-11-20-21(30-10-9-29-20)12-19(18)25-13-22(23)31(27,28)17-6-4-16(24)5-7-17/h4-7,11-13,15H,2-3,8-10,14H2,1H3
InChIKeyTVEDWRZIBALXHX-UHFFFAOYSA-N
XLogP4.73
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)sulfonyl-9-(3-methylpiperidin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline?
The IUPAC name of 8-(4-chlorophenyl)sulfonyl-9-(3-methylpiperidin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline (CID 18559531) is 8-(4-chlorophenyl)sulfonyl-9-(3-methylpiperidin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline.
What is the SMILES notation for 8-(4-chlorophenyl)sulfonyl-9-(3-methylpiperidin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline?
The canonical SMILES for 8-(4-chlorophenyl)sulfonyl-9-(3-methylpiperidin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline is CC1CCCN(c2c(S(=O)(=O)c3ccc(Cl)cc3)cnc3cc4c(cc23)OCCO4)C1.
What is the InChIKey of 8-(4-chlorophenyl)sulfonyl-9-(3-methylpiperidin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline?
The InChIKey is TVEDWRZIBALXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-15-3-2-8-26(14-15)23-18-11-20-21(30-10-9-29-20)12-19(18)25-13-22(23)31(27,28)17-6-4-16(24)5-7-17/h4-7,11-13,15H,2-3,8-10,14H2,1H3.
What are the key properties of 8-(4-chlorophenyl)sulfonyl-9-(3-methylpiperidin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline?
8-(4-chlorophenyl)sulfonyl-9-(3-methylpiperidin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline has a molecular weight of 458.97 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)sulfonyl-9-(3-methylpiperidin-1-yl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline is sourced from PubChem (CID 18559531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).