5-(3,4-dibromophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione

C17H14Br2N2O3 — CID 10115075

IUPAC5-(3,4-dibromophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione
SMILESO=C1CNCC2=C1C(c1ccc(Br)c(Br)c1)C1=C(COCC1=O)N2
InChIInChI=1S/C17H14Br2N2O3/c18-9-2-1-8(3-10(9)19)15-16-11(4-20-5-13(16)22)21-12-6-24-7-14(23)17(12)15/h1-3,15,20-21H,4-7H2
InChIKeyVDSFKXYVBXEYEE-UHFFFAOYSA-N
MW454.12 g/mol
LogP2.18
Rot. Bonds1

About 5-(3,4-dibromophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione

5-(3,4-dibromophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione (PubChem CID 10115075) has the molecular formula C17H14Br2N2O3 and a molecular weight of 454.12 g/mol. Its IUPAC name is 5-(3,4-dibromophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione.

Molecular Properties

Compound Name5-(3,4-dibromophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione
PubChem CID10115075
Molecular FormulaC17H14Br2N2O3
Molecular Weight454.12 g/mol
Exact Mass451.94
IUPAC Name5-(3,4-dibromophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione
SMILESO=C1CNCC2=C1C(c1ccc(Br)c(Br)c1)C1=C(COCC1=O)N2
InChIInChI=1S/C17H14Br2N2O3/c18-9-2-1-8(3-10(9)19)15-16-11(4-20-5-13(16)22)21-12-6-24-7-14(23)17(12)15/h1-3,15,20-21H,4-7H2
InChIKeyVDSFKXYVBXEYEE-UHFFFAOYSA-N
XLogP2.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.12
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(3,4-dibromophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione 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

5-(3-bromo-4-fluorophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione;hydrochloride
CID 18000995
9-(3-bromo-4-methylphenyl)-5,13-dioxa-2-azatricyclo[8.4.0.03,8]tetradeca-1(10),3(8)-diene-7,11-dione
CID 18001004
5-(3-bromo-4-fluorophenyl)-1,5,7,8,9,10-hexahydrothiopyrano[3,4-b][1,7]naphthyridine-4,6-dione
CID 18000940
8-(3,4-dimethylphenyl)-5,12-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene-6,10-dione;ethane
CID 143279206
8-(3-bromo-4-methylphenyl)-4-methyl-12-oxa-2,4,5-triazatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene-6,10-dione
CID 10221959
(8R)-8-(4-fluoro-3-iodophenyl)-5,12-dioxa-2-azatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene-6,10-dione
CID 10296094
10-(3-bromo-4-fluorophenyl)-1,1-dioxo-2,3,4,5,6,7,8,10-octahydrothiopyrano[3,2-b][1,7]naphthyridin-9-one;hydrochloride
CID 18000983
(9S)-9-(3-bromo-4-methylphenyl)-3,4,5,6,7,9-hexahydrofuro[3,4-b]quinoline-1,8-dione
CID 10109924
9-(3-bromo-4-hydroxyphenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 1492652
8-(3-bromo-4-chlorophenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
CID 10271270
8-(4-bromo-3-methylphenyl)-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
CID 10269988
8-(3-bromo-4-fluorophenyl)-4-propan-2-yl-5,12-dioxa-2,4-diazatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene-6,10-dione
CID 23497524

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dibromophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione?
The IUPAC name of 5-(3,4-dibromophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione (CID 10115075) is 5-(3,4-dibromophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione.
What is the SMILES notation for 5-(3,4-dibromophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione?
The canonical SMILES for 5-(3,4-dibromophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione is O=C1CNCC2=C1C(c1ccc(Br)c(Br)c1)C1=C(COCC1=O)N2.
What is the InChIKey of 5-(3,4-dibromophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione?
The InChIKey is VDSFKXYVBXEYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Br2N2O3/c18-9-2-1-8(3-10(9)19)15-16-11(4-20-5-13(16)22)21-12-6-24-7-14(23)17(12)15/h1-3,15,20-21H,4-7H2.
What are the key properties of 5-(3,4-dibromophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione?
5-(3,4-dibromophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione has a molecular weight of 454.12 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dibromophenyl)-1,5,7,8,9,10-hexahydropyrano[3,4-b][1,7]naphthyridine-4,6-dione is sourced from PubChem (CID 10115075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).