N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]piperidin-4-amine;hydrochloride

C25H30ClFN4O3 — CID 44529751

IUPACN-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]piperidin-4-amine;hydrochloride
SMILESCOc1ccc2ccc(F)c(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1.Cl
InChIInChI=1S/C25H29FN4O3.ClH/c1-31-24-5-3-17-2-4-21(26)20(25(17)29-24)8-11-30-9-6-18(7-10-30)27-15-19-14-22-23(16-28-19)33-13-12-32-22;/h2-5,14,16,18,27H,6-13,15H2,1H3;1H
InChIKeyVWHKVLKTYURSDT-UHFFFAOYSA-N
MW488.99 g/mol
LogP3.77
Rot. Bonds7

About N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]piperidin-4-amine;hydrochloride

N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]piperidin-4-amine;hydrochloride (PubChem CID 44529751) has the molecular formula C25H30ClFN4O3 and a molecular weight of 488.99 g/mol. Its IUPAC name is N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]piperidin-4-amine;hydrochloride
PubChem CID44529751
Molecular FormulaC25H30ClFN4O3
Molecular Weight488.99 g/mol
Exact Mass488.20
IUPAC NameN-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]piperidin-4-amine;hydrochloride
SMILESCOc1ccc2ccc(F)c(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1.Cl
InChIInChI=1S/C25H29FN4O3.ClH/c1-31-24-5-3-17-2-4-21(26)20(25(17)29-24)8-11-30-9-6-18(7-10-30)27-15-19-14-22-23(16-28-19)33-13-12-32-22;/h2-5,14,16,18,27H,6-13,15H2,1H3;1H
InChIKeyVWHKVLKTYURSDT-UHFFFAOYSA-N
XLogP3.77
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.99
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]piperidin-4-amine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]piperidin-4-amine;hydrochloride?
The IUPAC name of N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]piperidin-4-amine;hydrochloride (CID 44529751) is N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]piperidin-4-amine;hydrochloride is COc1ccc2ccc(F)c(CCN3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1.Cl.
What is the InChIKey of N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]piperidin-4-amine;hydrochloride?
The InChIKey is VWHKVLKTYURSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O3.ClH/c1-31-24-5-3-17-2-4-21(26)20(25(17)29-24)8-11-30-9-6-18(7-10-30)27-15-19-14-22-23(16-28-19)33-13-12-32-22;/h2-5,14,16,18,27H,6-13,15H2,1H3;1H.
What are the key properties of N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]piperidin-4-amine;hydrochloride?
N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]piperidin-4-amine;hydrochloride has a molecular weight of 488.99 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-1-[2-(7-fluoro-2-methoxyquinolin-8-yl)ethyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 44529751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).