1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;hydrochloride

C24H27Cl2FN4O2 — CID 44525735

IUPAC1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;hydrochloride
SMILESCl.Fc1ccc2ncc(Cl)c(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1
InChIInChI=1S/C24H26ClFN4O2.ClH/c25-21-14-29-22-2-1-16(26)11-20(22)19(21)5-8-30-6-3-17(4-7-30)27-13-18-12-23-24(15-28-18)32-10-9-31-23;/h1-2,11-12,14-15,17,27H,3-10,13H2;1H
InChIKeyDQIXFNNBEAEBAG-UHFFFAOYSA-N
MW493.41 g/mol
LogP4.41
Rot. Bonds6

About 1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;hydrochloride

1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;hydrochloride (PubChem CID 44525735) has the molecular formula C24H27Cl2FN4O2 and a molecular weight of 493.41 g/mol. Its IUPAC name is 1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;hydrochloride
PubChem CID44525735
Molecular FormulaC24H27Cl2FN4O2
Molecular Weight493.41 g/mol
Exact Mass492.15
IUPAC Name1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;hydrochloride
SMILESCl.Fc1ccc2ncc(Cl)c(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1
InChIInChI=1S/C24H26ClFN4O2.ClH/c25-21-14-29-22-2-1-16(26)11-20(22)19(21)5-8-30-6-3-17(4-7-30)27-13-18-12-23-24(15-28-18)32-10-9-31-23;/h1-2,11-12,14-15,17,27H,3-10,13H2;1H
InChIKeyDQIXFNNBEAEBAG-UHFFFAOYSA-N
XLogP4.41
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;hydrochloride?
The IUPAC name of 1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;hydrochloride (CID 44525735) is 1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;hydrochloride is Cl.Fc1ccc2ncc(Cl)c(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2c1.
What is the InChIKey of 1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;hydrochloride?
The InChIKey is DQIXFNNBEAEBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4O2.ClH/c25-21-14-29-22-2-1-16(26)11-20(22)19(21)5-8-30-6-3-17(4-7-30)27-13-18-12-23-24(15-28-18)32-10-9-31-23;/h1-2,11-12,14-15,17,27H,3-10,13H2;1H.
What are the key properties of 1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;hydrochloride?
1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;hydrochloride has a molecular weight of 493.41 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-6-fluoroquinolin-4-yl)ethyl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 44525735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).