2-[4-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperazin-1-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine

C23H27ClN6O3 — CID 11751772

IUPAC2-[4-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperazin-1-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine
SMILESCOc1cnc2ncc(Cl)c(N3CCN(CCNCc4cc5c(cn4)OCCO5)CC3)c2c1
InChIInChI=1S/C23H27ClN6O3/c1-31-17-11-18-22(19(24)14-28-23(18)27-13-17)30-6-4-29(5-7-30)3-2-25-12-16-10-20-21(15-26-16)33-9-8-32-20/h10-11,13-15,25H,2-9,12H2,1H3
InChIKeyYCNXIJVGYAXRTK-UHFFFAOYSA-N
MW470.96 g/mol
LogP2.37
Rot. Bonds7

About 2-[4-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperazin-1-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine

2-[4-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperazin-1-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine (PubChem CID 11751772) has the molecular formula C23H27ClN6O3 and a molecular weight of 470.96 g/mol. Its IUPAC name is 2-[4-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperazin-1-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[4-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperazin-1-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine
PubChem CID11751772
Molecular FormulaC23H27ClN6O3
Molecular Weight470.96 g/mol
Exact Mass470.18
IUPAC Name2-[4-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperazin-1-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine
SMILESCOc1cnc2ncc(Cl)c(N3CCN(CCNCc4cc5c(cn4)OCCO5)CC3)c2c1
InChIInChI=1S/C23H27ClN6O3/c1-31-17-11-18-22(19(24)14-28-23(18)27-13-17)30-6-4-29(5-7-30)3-2-25-12-16-10-20-21(15-26-16)33-9-8-32-20/h10-11,13-15,25H,2-9,12H2,1H3
InChIKeyYCNXIJVGYAXRTK-UHFFFAOYSA-N
XLogP2.37
TPSA84.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.96
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperazin-1-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperazin-1-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine?
The IUPAC name of 2-[4-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperazin-1-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine (CID 11751772) is 2-[4-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperazin-1-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine.
What is the SMILES notation for 2-[4-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperazin-1-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine?
The canonical SMILES for 2-[4-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperazin-1-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine is COc1cnc2ncc(Cl)c(N3CCN(CCNCc4cc5c(cn4)OCCO5)CC3)c2c1.
What is the InChIKey of 2-[4-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperazin-1-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine?
The InChIKey is YCNXIJVGYAXRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O3/c1-31-17-11-18-22(19(24)14-28-23(18)27-13-17)30-6-4-29(5-7-30)3-2-25-12-16-10-20-21(15-26-16)33-9-8-32-20/h10-11,13-15,25H,2-9,12H2,1H3.
What are the key properties of 2-[4-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperazin-1-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine?
2-[4-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperazin-1-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine has a molecular weight of 470.96 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-6-methoxy-1,8-naphthyridin-4-yl)piperazin-1-yl]-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)ethanamine is sourced from PubChem (CID 11751772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).