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

C32H41N5O6 — CID 158923153

IUPAC8-[(dimethylamino)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;8-(hydroxymethyl)-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one
SMILESCOCn1c(=O)c2c(c3c(OC)cc(CO)cc31)NCCC2.COc1cc(CN(C)C)cc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C16H21N3O2.C16H20N2O4/c1-19(2)9-10-7-12-14(13(8-10)21-3)15-11(16(20)18-12)5-4-6-17-15;1-21-9-18-12-6-10(8-19)7-13(22-2)14(12)15-11(16(18)20)4-3-5-17-15/h7-8,17H,4-6,9H2,1-3H3,(H,18,20);6-7,17,19H,3-5,8-9H2,1-2H3
InChIKeyJICBYBHTZKRSEF-UHFFFAOYSA-N
MW591.71 g/mol
LogP3.42
Rot. Bonds7

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

8-[(dimethylamino)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;8-(hydroxymethyl)-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one (PubChem CID 158923153) has the molecular formula C32H41N5O6 and a molecular weight of 591.71 g/mol. Its IUPAC name is 8-[(dimethylamino)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;8-(hydroxymethyl)-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[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;8-(hydroxymethyl)-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one
PubChem CID158923153
Molecular FormulaC32H41N5O6
Molecular Weight591.71 g/mol
Exact Mass591.31
IUPAC Name8-[(dimethylamino)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;8-(hydroxymethyl)-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one
SMILESCOCn1c(=O)c2c(c3c(OC)cc(CO)cc31)NCCC2.COc1cc(CN(C)C)cc2[nH]c(=O)c3c(c12)NCCC3
InChIInChI=1S/C16H21N3O2.C16H20N2O4/c1-19(2)9-10-7-12-14(13(8-10)21-3)15-11(16(20)18-12)5-4-6-17-15;1-21-9-18-12-6-10(8-19)7-13(22-2)14(12)15-11(16(18)20)4-3-5-17-15/h7-8,17H,4-6,9H2,1-3H3,(H,18,20);6-7,17,19H,3-5,8-9H2,1-2H3
InChIKeyJICBYBHTZKRSEF-UHFFFAOYSA-N
XLogP3.42
TPSA130.08 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.71
LogP ≤ 53.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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

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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;8-(hydroxymethyl)-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[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;8-(hydroxymethyl)-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one (CID 158923153) is 8-[(dimethylamino)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;8-(hydroxymethyl)-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[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;8-(hydroxymethyl)-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[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;8-(hydroxymethyl)-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one is COCn1c(=O)c2c(c3c(OC)cc(CO)cc31)NCCC2.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;8-(hydroxymethyl)-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one?
The InChIKey is JICBYBHTZKRSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.C16H20N2O4/c1-19(2)9-10-7-12-14(13(8-10)21-3)15-11(16(20)18-12)5-4-6-17-15;1-21-9-18-12-6-10(8-19)7-13(22-2)14(12)15-11(16(18)20)4-3-5-17-15/h7-8,17H,4-6,9H2,1-3H3,(H,18,20);6-7,17,19H,3-5,8-9H2,1-2H3.
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-(hydroxymethyl)-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one?
8-[(dimethylamino)methyl]-10-methoxy-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one;8-(hydroxymethyl)-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one has a molecular weight of 591.71 g/mol, XLogP of 3.42, 7 rotatable bonds, 4 hydrogen bond donors, and 10 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;8-(hydroxymethyl)-10-methoxy-6-(methoxymethyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 158923153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).