10-ethoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrate;dihydrochloride

C19H31Cl2N3O5 — CID 71661804

IUPAC10-ethoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrate;dihydrochloride
SMILESCCOc1cc(CN2CCOCC2)cc2[nH]c(=O)c3c(c12)NCCC3.Cl.Cl.O.O
InChIInChI=1S/C19H25N3O3.2ClH.2H2O/c1-2-25-16-11-13(12-22-6-8-24-9-7-22)10-15-17(16)18-14(19(23)21-15)4-3-5-20-18;;;;/h10-11,20H,2-9,12H2,1H3,(H,21,23);2*1H;2*1H2
InChIKeyRYWIWBIJBCNLMR-UHFFFAOYSA-N
MW452.38 g/mol
LogP1.31
Rot. Bonds4

About 10-ethoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrate;dihydrochloride

10-ethoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrate;dihydrochloride (PubChem CID 71661804) has the molecular formula C19H31Cl2N3O5 and a molecular weight of 452.38 g/mol. Its IUPAC name is 10-ethoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrate;dihydrochloride.

Molecular Properties

Compound Name10-ethoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrate;dihydrochloride
PubChem CID71661804
Molecular FormulaC19H31Cl2N3O5
Molecular Weight452.38 g/mol
Exact Mass451.16
IUPAC Name10-ethoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrate;dihydrochloride
SMILESCCOc1cc(CN2CCOCC2)cc2[nH]c(=O)c3c(c12)NCCC3.Cl.Cl.O.O
InChIInChI=1S/C19H25N3O3.2ClH.2H2O/c1-2-25-16-11-13(12-22-6-8-24-9-7-22)10-15-17(16)18-14(19(23)21-15)4-3-5-20-18;;;;/h10-11,20H,2-9,12H2,1H3,(H,21,23);2*1H;2*1H2
InChIKeyRYWIWBIJBCNLMR-UHFFFAOYSA-N
XLogP1.31
TPSA129.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 10-ethoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrate;dihydrochloride with MolForge

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Related Compounds

Amelparib
CID 58424881
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
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
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
8-[[ethyl(methyl)amino]methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424916
8-[(dimethylamino)methyl]-10-(2-methoxyethoxy)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424931

Frequently Asked Questions

What is the IUPAC name of 10-ethoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrate;dihydrochloride?
The IUPAC name of 10-ethoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrate;dihydrochloride (CID 71661804) is 10-ethoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrate;dihydrochloride.
What is the SMILES notation for 10-ethoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrate;dihydrochloride?
The canonical SMILES for 10-ethoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrate;dihydrochloride is CCOc1cc(CN2CCOCC2)cc2[nH]c(=O)c3c(c12)NCCC3.Cl.Cl.O.O.
What is the InChIKey of 10-ethoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrate;dihydrochloride?
The InChIKey is RYWIWBIJBCNLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3.2ClH.2H2O/c1-2-25-16-11-13(12-22-6-8-24-9-7-22)10-15-17(16)18-14(19(23)21-15)4-3-5-20-18;;;;/h10-11,20H,2-9,12H2,1H3,(H,21,23);2*1H;2*1H2.
What are the key properties of 10-ethoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrate;dihydrochloride?
10-ethoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrate;dihydrochloride has a molecular weight of 452.38 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethoxy-8-(morpholin-4-ylmethyl)-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;dihydrate;dihydrochloride is sourced from PubChem (CID 71661804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).