8-[(3-methoxypropylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride

C17H25Cl2N3O2 — CID 67381374

IUPAC8-[(3-methoxypropylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride
SMILESCOCCCNCc1ccc2c3c(c(=O)[nH]c2c1)CCCN3.Cl.Cl
InChIInChI=1S/C17H23N3O2.2ClH/c1-22-9-3-7-18-11-12-5-6-13-15(10-12)20-17(21)14-4-2-8-19-16(13)14;;/h5-6,10,18-19H,2-4,7-9,11H2,1H3,(H,20,21);2*1H
InChIKeyXAGMJMDMRRWALI-UHFFFAOYSA-N
MW374.31 g/mol
LogP2.86
Rot. Bonds6

About 8-[(3-methoxypropylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride

8-[(3-methoxypropylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride (PubChem CID 67381374) has the molecular formula C17H25Cl2N3O2 and a molecular weight of 374.31 g/mol. Its IUPAC name is 8-[(3-methoxypropylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride.

Molecular Properties

Compound Name8-[(3-methoxypropylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride
PubChem CID67381374
Molecular FormulaC17H25Cl2N3O2
Molecular Weight374.31 g/mol
Exact Mass373.13
IUPAC Name8-[(3-methoxypropylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride
SMILESCOCCCNCc1ccc2c3c(c(=O)[nH]c2c1)CCCN3.Cl.Cl
InChIInChI=1S/C17H23N3O2.2ClH/c1-22-9-3-7-18-11-12-5-6-13-15(10-12)20-17(21)14-4-2-8-19-16(13)14;;/h5-6,10,18-19H,2-4,7-9,11H2,1H3,(H,20,21);2*1H
InChIKeyXAGMJMDMRRWALI-UHFFFAOYSA-N
XLogP2.86
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.31
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[(3-methoxypropylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(3-methoxypropylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride?
The IUPAC name of 8-[(3-methoxypropylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride (CID 67381374) is 8-[(3-methoxypropylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride.
What is the SMILES notation for 8-[(3-methoxypropylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride?
The canonical SMILES for 8-[(3-methoxypropylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride is COCCCNCc1ccc2c3c(c(=O)[nH]c2c1)CCCN3.Cl.Cl.
What is the InChIKey of 8-[(3-methoxypropylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride?
The InChIKey is XAGMJMDMRRWALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.2ClH/c1-22-9-3-7-18-11-12-5-6-13-15(10-12)20-17(21)14-4-2-8-19-16(13)14;;/h5-6,10,18-19H,2-4,7-9,11H2,1H3,(H,20,21);2*1H.
What are the key properties of 8-[(3-methoxypropylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride?
8-[(3-methoxypropylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride has a molecular weight of 374.31 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methoxypropylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride is sourced from PubChem (CID 67381374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).