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

C17H23N3O2 — CID 58424916

IUPAC8-[[ethyl(methyl)amino]methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCCN(C)Cc1cc(OC)c2c3c(c(=O)[nH]c2c1)CCCN3
InChIInChI=1S/C17H23N3O2/c1-4-20(2)10-11-8-13-15(14(9-11)22-3)16-12(17(21)19-13)6-5-7-18-16/h8-9,18H,4-7,10H2,1-3H3,(H,19,21)
InChIKeyLBWLWOBFOPJIJK-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.35
Rot. Bonds4

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

8-[[ethyl(methyl)amino]methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (PubChem CID 58424916) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 8-[[ethyl(methyl)amino]methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name8-[[ethyl(methyl)amino]methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
PubChem CID58424916
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name8-[[ethyl(methyl)amino]methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCCN(C)Cc1cc(OC)c2c3c(c(=O)[nH]c2c1)CCCN3
InChIInChI=1S/C17H23N3O2/c1-4-20(2)10-11-8-13-15(14(9-11)22-3)16-12(17(21)19-13)6-5-7-18-16/h8-9,18H,4-7,10H2,1-3H3,(H,19,21)
InChIKeyLBWLWOBFOPJIJK-UHFFFAOYSA-N
XLogP2.35
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

Ucm1014
CID 121231413
Amelparib
CID 58424881
2-methoxy-4-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylamino]benzonitrile
CID 118955715
3-[(2,5-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 947754
Amelparib dihydrochloride dihydrate
CID 71661804
N-(2-(7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)pentanamide
CID 3243645
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

Frequently Asked Questions

What is the IUPAC name of 8-[[ethyl(methyl)amino]methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 8-[[ethyl(methyl)amino]methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (CID 58424916) is 8-[[ethyl(methyl)amino]methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 8-[[ethyl(methyl)amino]methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 8-[[ethyl(methyl)amino]methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is CCN(C)Cc1cc(OC)c2c3c(c(=O)[nH]c2c1)CCCN3.
What is the InChIKey of 8-[[ethyl(methyl)amino]methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The InChIKey is LBWLWOBFOPJIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-20(2)10-11-8-13-15(14(9-11)22-3)16-12(17(21)19-13)6-5-7-18-16/h8-9,18H,4-7,10H2,1-3H3,(H,19,21).
What are the key properties of 8-[[ethyl(methyl)amino]methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
8-[[ethyl(methyl)amino]methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one has a molecular weight of 301.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[ethyl(methyl)amino]methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 58424916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).