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

C16H21N3O2 — CID 58424913

IUPAC8-[(dimethylamino)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCOc1cc(CN(C)C)cc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C16H21N3O2/c1-19(2)9-10-7-12-14(13(8-10)21-3)15-11(16(20)18-12)5-4-6-17-15/h7-8,17H,4-6,9H2,1-3H3,(H,18,20)
InChIKeyYQPSIACHCTULLV-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.96
Rot. Bonds3

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

8-[(dimethylamino)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (PubChem CID 58424913) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 8-[(dimethylamino)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name8-[(dimethylamino)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
PubChem CID58424913
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name8-[(dimethylamino)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCOc1cc(CN(C)C)cc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C16H21N3O2/c1-19(2)9-10-7-12-14(13(8-10)21-3)15-11(16(20)18-12)5-4-6-17-15/h7-8,17H,4-6,9H2,1-3H3,(H,18,20)
InChIKeyYQPSIACHCTULLV-UHFFFAOYSA-N
XLogP1.96
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-[(dimethylamino)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]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

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-[(dimethylamino)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 8-[(dimethylamino)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (CID 58424913) is 8-[(dimethylamino)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 8-[(dimethylamino)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 8-[(dimethylamino)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is COc1cc(CN(C)C)cc2[nH]c(=O)c3c(c12)NCCC3.
What is the InChIKey of 8-[(dimethylamino)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The InChIKey is YQPSIACHCTULLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19(2)9-10-7-12-14(13(8-10)21-3)15-11(16(20)18-12)5-4-6-17-15/h7-8,17H,4-6,9H2,1-3H3,(H,18,20).
What are the key properties of 8-[(dimethylamino)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
8-[(dimethylamino)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one has a molecular weight of 287.36 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(dimethylamino)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 58424913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).