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

C18H25Cl2N3O2 — CID 67381297

IUPAC1-methyl-9-piperidin-4-yloxy-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride
SMILESCN1CCCc2c1c1cc(OC3CCNCC3)ccc1[nH]c2=O.Cl.Cl
InChIInChI=1S/C18H23N3O2.2ClH/c1-21-10-2-3-14-17(21)15-11-13(4-5-16(15)20-18(14)22)23-12-6-8-19-9-7-12;;/h4-5,11-12,19H,2-3,6-10H2,1H3,(H,20,22);2*1H
InChIKeyKYPJDZBIALLDSX-UHFFFAOYSA-N
MW386.32 g/mol
LogP2.88
Rot. Bonds2

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

1-methyl-9-piperidin-4-yloxy-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride (PubChem CID 67381297) has the molecular formula C18H25Cl2N3O2 and a molecular weight of 386.32 g/mol. Its IUPAC name is 1-methyl-9-piperidin-4-yloxy-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride.

Molecular Properties

Compound Name1-methyl-9-piperidin-4-yloxy-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride
PubChem CID67381297
Molecular FormulaC18H25Cl2N3O2
Molecular Weight386.32 g/mol
Exact Mass385.13
IUPAC Name1-methyl-9-piperidin-4-yloxy-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride
SMILESCN1CCCc2c1c1cc(OC3CCNCC3)ccc1[nH]c2=O.Cl.Cl
InChIInChI=1S/C18H23N3O2.2ClH/c1-21-10-2-3-14-17(21)15-11-13(4-5-16(15)20-18(14)22)23-12-6-8-19-9-7-12;;/h4-5,11-12,19H,2-3,6-10H2,1H3,(H,20,22);2*1H
InChIKeyKYPJDZBIALLDSX-UHFFFAOYSA-N
XLogP2.88
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-piperidin-4-yloxy-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride?
The IUPAC name of 1-methyl-9-piperidin-4-yloxy-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride (CID 67381297) is 1-methyl-9-piperidin-4-yloxy-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride.
What is the SMILES notation for 1-methyl-9-piperidin-4-yloxy-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride?
The canonical SMILES for 1-methyl-9-piperidin-4-yloxy-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride is CN1CCCc2c1c1cc(OC3CCNCC3)ccc1[nH]c2=O.Cl.Cl.
What is the InChIKey of 1-methyl-9-piperidin-4-yloxy-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride?
The InChIKey is KYPJDZBIALLDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2.2ClH/c1-21-10-2-3-14-17(21)15-11-13(4-5-16(15)20-18(14)22)23-12-6-8-19-9-7-12;;/h4-5,11-12,19H,2-3,6-10H2,1H3,(H,20,22);2*1H.
What are the key properties of 1-methyl-9-piperidin-4-yloxy-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride?
1-methyl-9-piperidin-4-yloxy-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride has a molecular weight of 386.32 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-piperidin-4-yloxy-2,3,4,6-tetrahydrobenzo[h][1,6]naphthyridin-5-one;dihydrochloride is sourced from PubChem (CID 67381297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).