7,10-dichloro-2-methoxybenzo[b][1,5]naphthyridine

C13H8Cl2N2O — CID 23107

IUPAC7,10-dichloro-2-methoxybenzo[b][1,5]naphthyridine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(Cl)c2n1
InChIInChI=1S/C13H8Cl2N2O/c1-18-11-5-4-9-13(17-11)12(15)8-3-2-7(14)6-10(8)16-9/h2-6H,1H3
InChIKeyKHPZCNJKNIHKPI-UHFFFAOYSA-N
MW279.13 g/mol
LogP4.10
Rot. Bonds1

About 7,10-dichloro-2-methoxybenzo[b][1,5]naphthyridine

7,10-dichloro-2-methoxybenzo[b][1,5]naphthyridine (PubChem CID 23107) has the molecular formula C13H8Cl2N2O and a molecular weight of 279.13 g/mol. Its IUPAC name is 7,10-dichloro-2-methoxybenzo[b][1,5]naphthyridine.

Molecular Properties

Compound Name7,10-dichloro-2-methoxybenzo[b][1,5]naphthyridine
PubChem CID23107
Molecular FormulaC13H8Cl2N2O
Molecular Weight279.13 g/mol
Exact Mass278.00
IUPAC Name7,10-dichloro-2-methoxybenzo[b][1,5]naphthyridine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(Cl)c2n1
InChIInChI=1S/C13H8Cl2N2O/c1-18-11-5-4-9-13(17-11)12(15)8-3-2-7(14)6-10(8)16-9/h2-6H,1H3
InChIKeyKHPZCNJKNIHKPI-UHFFFAOYSA-N
XLogP4.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,10-dichloro-2-methoxybenzo[b][1,5]naphthyridine?
The IUPAC name of 7,10-dichloro-2-methoxybenzo[b][1,5]naphthyridine (CID 23107) is 7,10-dichloro-2-methoxybenzo[b][1,5]naphthyridine.
What is the SMILES notation for 7,10-dichloro-2-methoxybenzo[b][1,5]naphthyridine?
The canonical SMILES for 7,10-dichloro-2-methoxybenzo[b][1,5]naphthyridine is COc1ccc2nc3cc(Cl)ccc3c(Cl)c2n1.
What is the InChIKey of 7,10-dichloro-2-methoxybenzo[b][1,5]naphthyridine?
The InChIKey is KHPZCNJKNIHKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O/c1-18-11-5-4-9-13(17-11)12(15)8-3-2-7(14)6-10(8)16-9/h2-6H,1H3.
What are the key properties of 7,10-dichloro-2-methoxybenzo[b][1,5]naphthyridine?
7,10-dichloro-2-methoxybenzo[b][1,5]naphthyridine has a molecular weight of 279.13 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10-dichloro-2-methoxybenzo[b][1,5]naphthyridine is sourced from PubChem (CID 23107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).