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

C17H15BrFN3O2 — CID 10135088

IUPAC10-(3-bromo-4-fluorophenyl)-2,3,4,5,6,7,8,10-octahydropyrido[4,3-b][1,6]naphthyridine-1,9-dione
SMILESO=C1NCCC2=C1C(c1ccc(F)c(Br)c1)C1=C(CCNC1=O)N2
InChIInChI=1S/C17H15BrFN3O2/c18-9-7-8(1-2-10(9)19)13-14-11(3-5-20-16(14)23)22-12-4-6-21-17(24)15(12)13/h1-2,7,13,22H,3-6H2,(H,20,23)(H,21,24)
InChIKeyYNBKPDKDCQJQRM-UHFFFAOYSA-N
MW392.23 g/mol
LogP1.82
Rot. Bonds1

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

10-(3-bromo-4-fluorophenyl)-2,3,4,5,6,7,8,10-octahydropyrido[4,3-b][1,6]naphthyridine-1,9-dione (PubChem CID 10135088) has the molecular formula C17H15BrFN3O2 and a molecular weight of 392.23 g/mol. Its IUPAC name is 10-(3-bromo-4-fluorophenyl)-2,3,4,5,6,7,8,10-octahydropyrido[4,3-b][1,6]naphthyridine-1,9-dione.

Molecular Properties

Compound Name10-(3-bromo-4-fluorophenyl)-2,3,4,5,6,7,8,10-octahydropyrido[4,3-b][1,6]naphthyridine-1,9-dione
PubChem CID10135088
Molecular FormulaC17H15BrFN3O2
Molecular Weight392.23 g/mol
Exact Mass391.03
IUPAC Name10-(3-bromo-4-fluorophenyl)-2,3,4,5,6,7,8,10-octahydropyrido[4,3-b][1,6]naphthyridine-1,9-dione
SMILESO=C1NCCC2=C1C(c1ccc(F)c(Br)c1)C1=C(CCNC1=O)N2
InChIInChI=1S/C17H15BrFN3O2/c18-9-7-8(1-2-10(9)19)13-14-11(3-5-20-16(14)23)22-12-4-6-21-17(24)15(12)13/h1-2,7,13,22H,3-6H2,(H,20,23)(H,21,24)
InChIKeyYNBKPDKDCQJQRM-UHFFFAOYSA-N
XLogP1.82
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.23
LogP ≤ 51.82
H-Bond Donors ≤ 53
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-octahydropyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The IUPAC name of 10-(3-bromo-4-fluorophenyl)-2,3,4,5,6,7,8,10-octahydropyrido[4,3-b][1,6]naphthyridine-1,9-dione (CID 10135088) is 10-(3-bromo-4-fluorophenyl)-2,3,4,5,6,7,8,10-octahydropyrido[4,3-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-octahydropyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The canonical SMILES for 10-(3-bromo-4-fluorophenyl)-2,3,4,5,6,7,8,10-octahydropyrido[4,3-b][1,6]naphthyridine-1,9-dione is O=C1NCCC2=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-octahydropyrido[4,3-b][1,6]naphthyridine-1,9-dione?
The InChIKey is YNBKPDKDCQJQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN3O2/c18-9-7-8(1-2-10(9)19)13-14-11(3-5-20-16(14)23)22-12-4-6-21-17(24)15(12)13/h1-2,7,13,22H,3-6H2,(H,20,23)(H,21,24).
What are the key properties of 10-(3-bromo-4-fluorophenyl)-2,3,4,5,6,7,8,10-octahydropyrido[4,3-b][1,6]naphthyridine-1,9-dione?
10-(3-bromo-4-fluorophenyl)-2,3,4,5,6,7,8,10-octahydropyrido[4,3-b][1,6]naphthyridine-1,9-dione has a molecular weight of 392.23 g/mol, XLogP of 1.82, 1 rotatable bonds, 3 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-octahydropyrido[4,3-b][1,6]naphthyridine-1,9-dione is sourced from PubChem (CID 10135088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).