6,8-dimethyl-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridin-10-one

C14H16N2O — CID 83528405

IUPAC6,8-dimethyl-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridin-10-one
SMILESCc1cc(C)c2[nH]c3c(c(=O)c2c1)CNCC3
InChIInChI=1S/C14H16N2O/c1-8-5-9(2)13-10(6-8)14(17)11-7-15-4-3-12(11)16-13/h5-6,15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyBHFOIZLTVUPLCP-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.79
Rot. Bonds

About 6,8-dimethyl-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridin-10-one

6,8-dimethyl-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridin-10-one (PubChem CID 83528405) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 6,8-dimethyl-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridin-10-one.

Molecular Properties

Compound Name6,8-dimethyl-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridin-10-one
PubChem CID83528405
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name6,8-dimethyl-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridin-10-one
SMILESCc1cc(C)c2[nH]c3c(c(=O)c2c1)CNCC3
InChIInChI=1S/C14H16N2O/c1-8-5-9(2)13-10(6-8)14(17)11-7-15-4-3-12(11)16-13/h5-6,15H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyBHFOIZLTVUPLCP-UHFFFAOYSA-N
XLogP1.79
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridin-10-one?
The IUPAC name of 6,8-dimethyl-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridin-10-one (CID 83528405) is 6,8-dimethyl-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridin-10-one.
What is the SMILES notation for 6,8-dimethyl-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridin-10-one?
The canonical SMILES for 6,8-dimethyl-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridin-10-one is Cc1cc(C)c2[nH]c3c(c(=O)c2c1)CNCC3.
What is the InChIKey of 6,8-dimethyl-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridin-10-one?
The InChIKey is BHFOIZLTVUPLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-8-5-9(2)13-10(6-8)14(17)11-7-15-4-3-12(11)16-13/h5-6,15H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 6,8-dimethyl-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridin-10-one?
6,8-dimethyl-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridin-10-one has a molecular weight of 228.29 g/mol, XLogP of 1.79, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2,3,4,5-tetrahydro-1H-benzo[b][1,6]naphthyridin-10-one is sourced from PubChem (CID 83528405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).