8-[(dimethylamino)methyl]-10-(2-methoxyethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one

C18H25N3O3 — CID 58424931

IUPAC8-[(dimethylamino)methyl]-10-(2-methoxyethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCOCCOc1cc(CN(C)C)cc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C18H25N3O3/c1-21(2)11-12-9-14-16(15(10-12)24-8-7-23-3)17-13(18(22)20-14)5-4-6-19-17/h9-10,19H,4-8,11H2,1-3H3,(H,20,22)
InChIKeySLSLTQLPRQLDIO-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.97
Rot. Bonds6

About 8-[(dimethylamino)methyl]-10-(2-methoxyethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one

8-[(dimethylamino)methyl]-10-(2-methoxyethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (PubChem CID 58424931) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 8-[(dimethylamino)methyl]-10-(2-methoxyethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name8-[(dimethylamino)methyl]-10-(2-methoxyethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
PubChem CID58424931
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name8-[(dimethylamino)methyl]-10-(2-methoxyethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCOCCOc1cc(CN(C)C)cc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C18H25N3O3/c1-21(2)11-12-9-14-16(15(10-12)24-8-7-23-3)17-13(18(22)20-14)5-4-6-19-17/h9-10,19H,4-8,11H2,1-3H3,(H,20,22)
InChIKeySLSLTQLPRQLDIO-UHFFFAOYSA-N
XLogP1.97
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-[(dimethylamino)methyl]-10-(2-methoxyethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one with MolForge

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Related Compounds

Amelparib
CID 58424881
Amelparib dihydrochloride dihydrate
CID 71661804
8-[(2,6-dimethylmorpholin-4-yl)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424849
8-(hydroxymethyl)-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424867
8-(morpholin-4-ylmethyl)-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424868
8-[(Dimethylamino)methyl]-10-hydroxy-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine-5-(6H)-one
CID 58424873
cyclopentyl-[(10-methoxy-5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]-dimethylazanium
CID 58424891
8-[[2-chloroethyl(methyl)amino]methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424892
10-(2-methoxyethoxy)-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424904
10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424905
8-(aminomethyl)-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424912
8-[(dimethylamino)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424913

Frequently Asked Questions

What is the IUPAC name of 8-[(dimethylamino)methyl]-10-(2-methoxyethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 8-[(dimethylamino)methyl]-10-(2-methoxyethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (CID 58424931) is 8-[(dimethylamino)methyl]-10-(2-methoxyethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 8-[(dimethylamino)methyl]-10-(2-methoxyethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 8-[(dimethylamino)methyl]-10-(2-methoxyethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is COCCOc1cc(CN(C)C)cc2[nH]c(=O)c3c(c12)NCCC3.
What is the InChIKey of 8-[(dimethylamino)methyl]-10-(2-methoxyethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The InChIKey is SLSLTQLPRQLDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-21(2)11-12-9-14-16(15(10-12)24-8-7-23-3)17-13(18(22)20-14)5-4-6-19-17/h9-10,19H,4-8,11H2,1-3H3,(H,20,22).
What are the key properties of 8-[(dimethylamino)methyl]-10-(2-methoxyethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
8-[(dimethylamino)methyl]-10-(2-methoxyethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one has a molecular weight of 331.42 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(dimethylamino)methyl]-10-(2-methoxyethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 58424931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).