1-methyl-9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride

C20H29Cl2N3O2 — CID 67381275

IUPAC1-methyl-9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride
SMILESCN1CCCc2c1c1cc(OCCN3CCCCC3)ccc1[nH]c2=O.Cl.Cl
InChIInChI=1S/C20H27N3O2.2ClH/c1-22-9-5-6-16-19(22)17-14-15(7-8-18(17)21-20(16)24)25-13-12-23-10-3-2-4-11-23;;/h7-8,14H,2-6,9-13H2,1H3,(H,21,24);2*1H
InChIKeyUTBDDDNMFHDIKP-UHFFFAOYSA-N
MW414.38 g/mol
LogP3.62
Rot. Bonds4

About 1-methyl-9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride

1-methyl-9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride (PubChem CID 67381275) has the molecular formula C20H29Cl2N3O2 and a molecular weight of 414.38 g/mol. Its IUPAC name is 1-methyl-9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride.

Molecular Properties

Compound Name1-methyl-9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride
PubChem CID67381275
Molecular FormulaC20H29Cl2N3O2
Molecular Weight414.38 g/mol
Exact Mass413.16
IUPAC Name1-methyl-9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride
SMILESCN1CCCc2c1c1cc(OCCN3CCCCC3)ccc1[nH]c2=O.Cl.Cl
InChIInChI=1S/C20H27N3O2.2ClH/c1-22-9-5-6-16-19(22)17-14-15(7-8-18(17)21-20(16)24)25-13-12-23-10-3-2-4-11-23;;/h7-8,14H,2-6,9-13H2,1H3,(H,21,24);2*1H
InChIKeyUTBDDDNMFHDIKP-UHFFFAOYSA-N
XLogP3.62
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride?
The IUPAC name of 1-methyl-9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride (CID 67381275) is 1-methyl-9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride.
What is the SMILES notation for 1-methyl-9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride?
The canonical SMILES for 1-methyl-9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride is CN1CCCc2c1c1cc(OCCN3CCCCC3)ccc1[nH]c2=O.Cl.Cl.
What is the InChIKey of 1-methyl-9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride?
The InChIKey is UTBDDDNMFHDIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2.2ClH/c1-22-9-5-6-16-19(22)17-14-15(7-8-18(17)21-20(16)24)25-13-12-23-10-3-2-4-11-23;;/h7-8,14H,2-6,9-13H2,1H3,(H,21,24);2*1H.
What are the key properties of 1-methyl-9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride?
1-methyl-9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride has a molecular weight of 414.38 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride is sourced from PubChem (CID 67381275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).