8-butyl-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one

C17H22N2O2 — CID 58424896

IUPAC8-butyl-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCCCCc1cc(OC)c2c3c(c(=O)[nH]c2c1)CCCN3
InChIInChI=1S/C17H22N2O2/c1-3-4-6-11-9-13-15(14(10-11)21-2)16-12(17(20)19-13)7-5-8-18-16/h9-10,18H,3-8H2,1-2H3,(H,19,20)
InChIKeyJQRFBJRIRJWXFZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.24
Rot. Bonds4

About 8-butyl-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one

8-butyl-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (PubChem CID 58424896) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 8-butyl-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name8-butyl-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
PubChem CID58424896
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name8-butyl-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCCCCc1cc(OC)c2c3c(c(=O)[nH]c2c1)CCCN3
InChIInChI=1S/C17H22N2O2/c1-3-4-6-11-9-13-15(14(10-11)21-2)16-12(17(20)19-13)7-5-8-18-16/h9-10,18H,3-8H2,1-2H3,(H,19,20)
InChIKeyJQRFBJRIRJWXFZ-UHFFFAOYSA-N
XLogP3.24
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-butyl-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one with MolForge

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Related Compounds

8-(diethylaminomethyl)-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride
CID 67381475
8-[[2-chloroethyl(methyl)amino]methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424892
1-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methylamino]pyrrole-2,5-dione
CID 67381230
8-[(2,6-dimethylmorpholin-4-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424849
10-ethoxy-8-(methylaminomethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 67381107
8-[(dimethylamino)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;8-(hydroxymethyl)-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one
CID 158923153
10-(2-methoxyethoxy)-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424904
10-ethoxy-8-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 134586984
8-[(3-methoxypropylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrochloride
CID 67381374
8-[[2-methoxyethyl(methyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424898
8-[[4-(4-bromophenyl)piperazin-1-yl]methyl]-10-methyl-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 134595845
8-[(dimethylamino)methyl]-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one
CID 67381139

Frequently Asked Questions

What is the IUPAC name of 8-butyl-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 8-butyl-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (CID 58424896) is 8-butyl-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 8-butyl-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 8-butyl-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is CCCCc1cc(OC)c2c3c(c(=O)[nH]c2c1)CCCN3.
What is the InChIKey of 8-butyl-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The InChIKey is JQRFBJRIRJWXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-4-6-11-9-13-15(14(10-11)21-2)16-12(17(20)19-13)7-5-8-18-16/h9-10,18H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 8-butyl-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
8-butyl-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one has a molecular weight of 286.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 58424896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).