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

C20H29N3O3 — CID 58424938

IUPAC10-methoxy-8-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCOc1cc(CN(C)CCOC(C)C)cc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C20H29N3O3/c1-13(2)26-9-8-23(3)12-14-10-16-18(17(11-14)25-4)19-15(20(24)22-16)6-5-7-21-19/h10-11,13,21H,5-9,12H2,1-4H3,(H,22,24)
InChIKeyWZKUMZLASCIXEQ-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.75
Rot. Bonds7

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

10-methoxy-8-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (PubChem CID 58424938) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 10-methoxy-8-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name10-methoxy-8-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
PubChem CID58424938
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name10-methoxy-8-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
SMILESCOc1cc(CN(C)CCOC(C)C)cc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C20H29N3O3/c1-13(2)26-9-8-23(3)12-14-10-16-18(17(11-14)25-4)19-15(20(24)22-16)6-5-7-21-19/h10-11,13,21H,5-9,12H2,1-4H3,(H,22,24)
InChIKeyWZKUMZLASCIXEQ-UHFFFAOYSA-N
XLogP2.75
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 10-methoxy-8-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-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
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
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

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-8-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 10-methoxy-8-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one (CID 58424938) is 10-methoxy-8-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 10-methoxy-8-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 10-methoxy-8-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is COc1cc(CN(C)CCOC(C)C)cc2[nH]c(=O)c3c(c12)NCCC3.
What is the InChIKey of 10-methoxy-8-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
The InChIKey is WZKUMZLASCIXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-13(2)26-9-8-23(3)12-14-10-16-18(17(11-14)25-4)19-15(20(24)22-16)6-5-7-21-19/h10-11,13,21H,5-9,12H2,1-4H3,(H,22,24).
What are the key properties of 10-methoxy-8-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one?
10-methoxy-8-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one has a molecular weight of 359.47 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-8-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 58424938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).