7,8-dimethyl-9-(piperazin-1-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline

C18H23N3O2 — CID 23557921

IUPAC7,8-dimethyl-9-(piperazin-1-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
SMILESCc1nc2cc3c(cc2c(CN2CCNCC2)c1C)OCCO3
InChIInChI=1S/C18H23N3O2/c1-12-13(2)20-16-10-18-17(22-7-8-23-18)9-14(16)15(12)11-21-5-3-19-4-6-21/h9-10,19H,3-8,11H2,1-2H3
InChIKeyVXGWQMDOYRUXOC-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.03
Rot. Bonds2

About 7,8-dimethyl-9-(piperazin-1-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline

7,8-dimethyl-9-(piperazin-1-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline (PubChem CID 23557921) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 7,8-dimethyl-9-(piperazin-1-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline.

Molecular Properties

Compound Name7,8-dimethyl-9-(piperazin-1-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
PubChem CID23557921
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name7,8-dimethyl-9-(piperazin-1-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline
SMILESCc1nc2cc3c(cc2c(CN2CCNCC2)c1C)OCCO3
InChIInChI=1S/C18H23N3O2/c1-12-13(2)20-16-10-18-17(22-7-8-23-18)9-14(16)15(12)11-21-5-3-19-4-6-21/h9-10,19H,3-8,11H2,1-2H3
InChIKeyVXGWQMDOYRUXOC-UHFFFAOYSA-N
XLogP2.03
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-9-(piperazin-1-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline?
The IUPAC name of 7,8-dimethyl-9-(piperazin-1-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline (CID 23557921) is 7,8-dimethyl-9-(piperazin-1-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline.
What is the SMILES notation for 7,8-dimethyl-9-(piperazin-1-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline?
The canonical SMILES for 7,8-dimethyl-9-(piperazin-1-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline is Cc1nc2cc3c(cc2c(CN2CCNCC2)c1C)OCCO3.
What is the InChIKey of 7,8-dimethyl-9-(piperazin-1-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline?
The InChIKey is VXGWQMDOYRUXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-13(2)20-16-10-18-17(22-7-8-23-18)9-14(16)15(12)11-21-5-3-19-4-6-21/h9-10,19H,3-8,11H2,1-2H3.
What are the key properties of 7,8-dimethyl-9-(piperazin-1-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline?
7,8-dimethyl-9-(piperazin-1-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline has a molecular weight of 313.40 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-9-(piperazin-1-ylmethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline is sourced from PubChem (CID 23557921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).