8-(3-methoxypropoxy)-6-methylbenzo[c][2,7]naphthyridin-5-one

C17H18N2O3 — CID 144565582

IUPAC8-(3-methoxypropoxy)-6-methylbenzo[c][2,7]naphthyridin-5-one
SMILESCOCCCOc1ccc2c3ccncc3c(=O)n(C)c2c1
InChIInChI=1S/C17H18N2O3/c1-19-16-10-12(22-9-3-8-21-2)4-5-14(16)13-6-7-18-11-15(13)17(19)20/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyFGQQFDJQEURAOJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.50
Rot. Bonds5

About 8-(3-methoxypropoxy)-6-methylbenzo[c][2,7]naphthyridin-5-one

8-(3-methoxypropoxy)-6-methylbenzo[c][2,7]naphthyridin-5-one (PubChem CID 144565582) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 8-(3-methoxypropoxy)-6-methylbenzo[c][2,7]naphthyridin-5-one.

Molecular Properties

Compound Name8-(3-methoxypropoxy)-6-methylbenzo[c][2,7]naphthyridin-5-one
PubChem CID144565582
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name8-(3-methoxypropoxy)-6-methylbenzo[c][2,7]naphthyridin-5-one
SMILESCOCCCOc1ccc2c3ccncc3c(=O)n(C)c2c1
InChIInChI=1S/C17H18N2O3/c1-19-16-10-12(22-9-3-8-21-2)4-5-14(16)13-6-7-18-11-15(13)17(19)20/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyFGQQFDJQEURAOJ-UHFFFAOYSA-N
XLogP2.50
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-(3-methoxypropoxy)-6-methylbenzo[c][2,7]naphthyridin-5-one with MolForge

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

Launch Full Analysis

Related Compounds

8-[(2S)-2-amino-4-methylpentoxy]-5-methylbenzo[c][1,7]naphthyridin-6-one
CID 134520695
3,4,7-tributoxy-1-methylquinolin-2-one
CID 139717073
3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930
tert-butyl 2-[[6-(2-methoxyethyl)-5-oxobenzo[c][2,7]naphthyridin-8-yl]oxymethyl]-4-methylazetidine-1-carboxylate
CID 123562767
3,4-dimethoxy-1-methyl-7-octoxyquinolin-2-one
CID 139718425
4,7-dibutoxy-3-hydroxy-1-methylquinolin-2-one
CID 139716939
7-butoxy-3-hexoxy-4-methoxy-1-methylquinolin-2-one
CID 139717106
[5-[6-(2-hydroxyethyl)-5-oxobenzo[c][2,7]naphthyridin-8-yl]oxy-4-methylpentan-2-yl]carbamic acid
CID 90035067
8-[(2S)-2-amino-4-methylpentoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one
CID 73213798
8-[(2S)-2-amino-4-methylpentoxy]-4-(difluoromethyl)-6-methylbenzo[c][2,7]naphthyridin-5-one;8-[(2S)-2-amino-4-methylpentoxy]-9-(4-fluorophenyl)-6-methylbenzo[c][2,7]naphthyridin-5-one
CID 159544300
8-(2-hydroxy-3-propan-2-yloxypropoxy)-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one
CID 118278267
5-methylbenzo[c][1,6]naphthyridin-6-one
CID 10727152

Frequently Asked Questions

What is the IUPAC name of 8-(3-methoxypropoxy)-6-methylbenzo[c][2,7]naphthyridin-5-one?
The IUPAC name of 8-(3-methoxypropoxy)-6-methylbenzo[c][2,7]naphthyridin-5-one (CID 144565582) is 8-(3-methoxypropoxy)-6-methylbenzo[c][2,7]naphthyridin-5-one.
What is the SMILES notation for 8-(3-methoxypropoxy)-6-methylbenzo[c][2,7]naphthyridin-5-one?
The canonical SMILES for 8-(3-methoxypropoxy)-6-methylbenzo[c][2,7]naphthyridin-5-one is COCCCOc1ccc2c3ccncc3c(=O)n(C)c2c1.
What is the InChIKey of 8-(3-methoxypropoxy)-6-methylbenzo[c][2,7]naphthyridin-5-one?
The InChIKey is FGQQFDJQEURAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-19-16-10-12(22-9-3-8-21-2)4-5-14(16)13-6-7-18-11-15(13)17(19)20/h4-7,10-11H,3,8-9H2,1-2H3.
What are the key properties of 8-(3-methoxypropoxy)-6-methylbenzo[c][2,7]naphthyridin-5-one?
8-(3-methoxypropoxy)-6-methylbenzo[c][2,7]naphthyridin-5-one has a molecular weight of 298.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methoxypropoxy)-6-methylbenzo[c][2,7]naphthyridin-5-one is sourced from PubChem (CID 144565582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).