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

C18H25N3O2 — CID 58425014

IUPAC8-[(dimethylamino)methyl]-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCCCOc1cc(CN(C)C)cc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C18H25N3O2/c1-4-8-23-15-10-12(11-21(2)3)9-14-16(15)17-13(18(22)20-14)6-5-7-19-17/h9-10,19H,4-8,11H2,1-3H3,(H,20,22)
InChIKeyLTPWQNAJIGIQFZ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.74
Rot. Bonds5

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

8-[(dimethylamino)methyl]-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (PubChem CID 58425014) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 8-[(dimethylamino)methyl]-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name8-[(dimethylamino)methyl]-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
PubChem CID58425014
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name8-[(dimethylamino)methyl]-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCCCOc1cc(CN(C)C)cc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C18H25N3O2/c1-4-8-23-15-10-12(11-21(2)3)9-14-16(15)17-13(18(22)20-14)6-5-7-19-17/h9-10,19H,4-8,11H2,1-3H3,(H,20,22)
InChIKeyLTPWQNAJIGIQFZ-UHFFFAOYSA-N
XLogP2.74
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(3-methoxyphenyl)-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide
CID 9550180
Amelparib
CID 58424881
Amelparib dihydrochloride dihydrate
CID 71661804
7-[4-(diethylamino)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 137644000
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
9-(2-piperidin-1-ylethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424869
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

Frequently Asked Questions

What is the IUPAC name of 8-[(dimethylamino)methyl]-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 8-[(dimethylamino)methyl]-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (CID 58425014) is 8-[(dimethylamino)methyl]-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 8-[(dimethylamino)methyl]-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 8-[(dimethylamino)methyl]-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is CCCOc1cc(CN(C)C)cc2[nH]c(=O)c3c(c12)NCCC3.
What is the InChIKey of 8-[(dimethylamino)methyl]-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The InChIKey is LTPWQNAJIGIQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-4-8-23-15-10-12(11-21(2)3)9-14-16(15)17-13(18(22)20-14)6-5-7-19-17/h9-10,19H,4-8,11H2,1-3H3,(H,20,22).
What are the key properties of 8-[(dimethylamino)methyl]-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
8-[(dimethylamino)methyl]-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one has a molecular weight of 315.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(dimethylamino)methyl]-10-propoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 58425014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).