7-bromo-10-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine

C13H13BrN2O — CID 115007266

IUPAC7-bromo-10-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine
SMILESCOc1c2c(nc3cc(Br)ccc13)CCNC2
InChIInChI=1S/C13H13BrN2O/c1-17-13-9-3-2-8(14)6-12(9)16-11-4-5-15-7-10(11)13/h2-3,6,15H,4-5,7H2,1H3
InChIKeyWJEJDFPZERXANX-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.65
Rot. Bonds1

About 7-bromo-10-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine

7-bromo-10-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine (PubChem CID 115007266) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 7-bromo-10-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine.

Molecular Properties

Compound Name7-bromo-10-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine
PubChem CID115007266
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name7-bromo-10-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine
SMILESCOc1c2c(nc3cc(Br)ccc13)CCNC2
InChIInChI=1S/C13H13BrN2O/c1-17-13-9-3-2-8(14)6-12(9)16-11-4-5-15-7-10(11)13/h2-3,6,15H,4-5,7H2,1H3
InChIKeyWJEJDFPZERXANX-UHFFFAOYSA-N
XLogP2.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-10-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine?
The IUPAC name of 7-bromo-10-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine (CID 115007266) is 7-bromo-10-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine.
What is the SMILES notation for 7-bromo-10-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine?
The canonical SMILES for 7-bromo-10-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine is COc1c2c(nc3cc(Br)ccc13)CCNC2.
What is the InChIKey of 7-bromo-10-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine?
The InChIKey is WJEJDFPZERXANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-17-13-9-3-2-8(14)6-12(9)16-11-4-5-15-7-10(11)13/h2-3,6,15H,4-5,7H2,1H3.
What are the key properties of 7-bromo-10-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine?
7-bromo-10-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine has a molecular weight of 293.16 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-10-methoxy-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine is sourced from PubChem (CID 115007266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).