8-methoxy-5-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-one

C14H16N2O2 — CID 66485037

IUPAC8-methoxy-5-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-one
SMILESCOc1ccc2c(c1)c(=O)c1c(n2C)CCNC1
InChIInChI=1S/C14H16N2O2/c1-16-12-4-3-9(18-2)7-10(12)14(17)11-8-15-6-5-13(11)16/h3-4,7,15H,5-6,8H2,1-2H3
InChIKeyVEJBKSIVGPJNJV-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.19
Rot. Bonds1

About 8-methoxy-5-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-one

8-methoxy-5-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-one (PubChem CID 66485037) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 8-methoxy-5-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-one.

Molecular Properties

Compound Name8-methoxy-5-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-one
PubChem CID66485037
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name8-methoxy-5-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-one
SMILESCOc1ccc2c(c1)c(=O)c1c(n2C)CCNC1
InChIInChI=1S/C14H16N2O2/c1-16-12-4-3-9(18-2)7-10(12)14(17)11-8-15-6-5-13(11)16/h3-4,7,15H,5-6,8H2,1-2H3
InChIKeyVEJBKSIVGPJNJV-UHFFFAOYSA-N
XLogP1.19
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-one?
The IUPAC name of 8-methoxy-5-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-one (CID 66485037) is 8-methoxy-5-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-one.
What is the SMILES notation for 8-methoxy-5-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-one?
The canonical SMILES for 8-methoxy-5-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-one is COc1ccc2c(c1)c(=O)c1c(n2C)CCNC1.
What is the InChIKey of 8-methoxy-5-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-one?
The InChIKey is VEJBKSIVGPJNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16-12-4-3-9(18-2)7-10(12)14(17)11-8-15-6-5-13(11)16/h3-4,7,15H,5-6,8H2,1-2H3.
What are the key properties of 8-methoxy-5-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-one?
8-methoxy-5-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-one has a molecular weight of 244.29 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-methyl-1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridin-10-one is sourced from PubChem (CID 66485037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).