1-(4-methoxyphenoxy)-5H-benzo[c][1,8]naphthyridin-6-one

C19H14N2O3 — CID 58168082

IUPAC1-(4-methoxyphenoxy)-5H-benzo[c][1,8]naphthyridin-6-one
SMILESCOc1ccc(Oc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
InChIInChI=1S/C19H14N2O3/c1-23-12-6-8-13(9-7-12)24-16-10-11-20-18-17(16)14-4-2-3-5-15(14)19(22)21-18/h2-11H,1H3,(H,20,21,22)
InChIKeyZCXUZNGHWJWEKS-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.88
Rot. Bonds3

About 1-(4-methoxyphenoxy)-5H-benzo[c][1,8]naphthyridin-6-one

1-(4-methoxyphenoxy)-5H-benzo[c][1,8]naphthyridin-6-one (PubChem CID 58168082) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 1-(4-methoxyphenoxy)-5H-benzo[c][1,8]naphthyridin-6-one.

Molecular Properties

Compound Name1-(4-methoxyphenoxy)-5H-benzo[c][1,8]naphthyridin-6-one
PubChem CID58168082
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name1-(4-methoxyphenoxy)-5H-benzo[c][1,8]naphthyridin-6-one
SMILESCOc1ccc(Oc2ccnc3[nH]c(=O)c4ccccc4c23)cc1
InChIInChI=1S/C19H14N2O3/c1-23-12-6-8-13(9-7-12)24-16-10-11-20-18-17(16)14-4-2-3-5-15(14)19(22)21-18/h2-11H,1H3,(H,20,21,22)
InChIKeyZCXUZNGHWJWEKS-UHFFFAOYSA-N
XLogP3.88
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenoxy)-5H-benzo[c][1,8]naphthyridin-6-one?
The IUPAC name of 1-(4-methoxyphenoxy)-5H-benzo[c][1,8]naphthyridin-6-one (CID 58168082) is 1-(4-methoxyphenoxy)-5H-benzo[c][1,8]naphthyridin-6-one.
What is the SMILES notation for 1-(4-methoxyphenoxy)-5H-benzo[c][1,8]naphthyridin-6-one?
The canonical SMILES for 1-(4-methoxyphenoxy)-5H-benzo[c][1,8]naphthyridin-6-one is COc1ccc(Oc2ccnc3[nH]c(=O)c4ccccc4c23)cc1.
What is the InChIKey of 1-(4-methoxyphenoxy)-5H-benzo[c][1,8]naphthyridin-6-one?
The InChIKey is ZCXUZNGHWJWEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-23-12-6-8-13(9-7-12)24-16-10-11-20-18-17(16)14-4-2-3-5-15(14)19(22)21-18/h2-11H,1H3,(H,20,21,22).
What are the key properties of 1-(4-methoxyphenoxy)-5H-benzo[c][1,8]naphthyridin-6-one?
1-(4-methoxyphenoxy)-5H-benzo[c][1,8]naphthyridin-6-one has a molecular weight of 318.33 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenoxy)-5H-benzo[c][1,8]naphthyridin-6-one is sourced from PubChem (CID 58168082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).