10-(3-bromo-4-fluorophenyl)-2,3,4,5,6,7,8,10-octahydrobenzo[b][1,6]naphthyridine-1,9-dione

C18H16BrFN2O2 — CID 10293811

IUPAC10-(3-bromo-4-fluorophenyl)-2,3,4,5,6,7,8,10-octahydrobenzo[b][1,6]naphthyridine-1,9-dione
SMILESO=C1CCCC2=C1C(c1ccc(F)c(Br)c1)C1=C(CCNC1=O)N2
InChIInChI=1S/C18H16BrFN2O2/c19-10-8-9(4-5-11(10)20)15-16-12(2-1-3-14(16)23)22-13-6-7-21-18(24)17(13)15/h4-5,8,15,22H,1-3,6-7H2,(H,21,24)
InChIKeyGDBDPVHGEHDXJT-UHFFFAOYSA-N
MW391.24 g/mol
LogP3.06
Rot. Bonds1

About 10-(3-bromo-4-fluorophenyl)-2,3,4,5,6,7,8,10-octahydrobenzo[b][1,6]naphthyridine-1,9-dione

10-(3-bromo-4-fluorophenyl)-2,3,4,5,6,7,8,10-octahydrobenzo[b][1,6]naphthyridine-1,9-dione (PubChem CID 10293811) has the molecular formula C18H16BrFN2O2 and a molecular weight of 391.24 g/mol. Its IUPAC name is 10-(3-bromo-4-fluorophenyl)-2,3,4,5,6,7,8,10-octahydrobenzo[b][1,6]naphthyridine-1,9-dione.

Molecular Properties

Compound Name10-(3-bromo-4-fluorophenyl)-2,3,4,5,6,7,8,10-octahydrobenzo[b][1,6]naphthyridine-1,9-dione
PubChem CID10293811
Molecular FormulaC18H16BrFN2O2
Molecular Weight391.24 g/mol
Exact Mass390.04
IUPAC Name10-(3-bromo-4-fluorophenyl)-2,3,4,5,6,7,8,10-octahydrobenzo[b][1,6]naphthyridine-1,9-dione
SMILESO=C1CCCC2=C1C(c1ccc(F)c(Br)c1)C1=C(CCNC1=O)N2
InChIInChI=1S/C18H16BrFN2O2/c19-10-8-9(4-5-11(10)20)15-16-12(2-1-3-14(16)23)22-13-6-7-21-18(24)17(13)15/h4-5,8,15,22H,1-3,6-7H2,(H,21,24)
InChIKeyGDBDPVHGEHDXJT-UHFFFAOYSA-N
XLogP3.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.24
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(3-bromo-4-fluorophenyl)-2,3,4,5,6,7,8,10-octahydrobenzo[b][1,6]naphthyridine-1,9-dione?
The IUPAC name of 10-(3-bromo-4-fluorophenyl)-2,3,4,5,6,7,8,10-octahydrobenzo[b][1,6]naphthyridine-1,9-dione (CID 10293811) is 10-(3-bromo-4-fluorophenyl)-2,3,4,5,6,7,8,10-octahydrobenzo[b][1,6]naphthyridine-1,9-dione.
What is the SMILES notation for 10-(3-bromo-4-fluorophenyl)-2,3,4,5,6,7,8,10-octahydrobenzo[b][1,6]naphthyridine-1,9-dione?
The canonical SMILES for 10-(3-bromo-4-fluorophenyl)-2,3,4,5,6,7,8,10-octahydrobenzo[b][1,6]naphthyridine-1,9-dione is O=C1CCCC2=C1C(c1ccc(F)c(Br)c1)C1=C(CCNC1=O)N2.
What is the InChIKey of 10-(3-bromo-4-fluorophenyl)-2,3,4,5,6,7,8,10-octahydrobenzo[b][1,6]naphthyridine-1,9-dione?
The InChIKey is GDBDPVHGEHDXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN2O2/c19-10-8-9(4-5-11(10)20)15-16-12(2-1-3-14(16)23)22-13-6-7-21-18(24)17(13)15/h4-5,8,15,22H,1-3,6-7H2,(H,21,24).
What are the key properties of 10-(3-bromo-4-fluorophenyl)-2,3,4,5,6,7,8,10-octahydrobenzo[b][1,6]naphthyridine-1,9-dione?
10-(3-bromo-4-fluorophenyl)-2,3,4,5,6,7,8,10-octahydrobenzo[b][1,6]naphthyridine-1,9-dione has a molecular weight of 391.24 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-bromo-4-fluorophenyl)-2,3,4,5,6,7,8,10-octahydrobenzo[b][1,6]naphthyridine-1,9-dione is sourced from PubChem (CID 10293811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).