7-(2,2-dimethylpropyl)-1H-1,6-naphthyridin-2-one

C13H16N2O — CID 129274406

IUPAC7-(2,2-dimethylpropyl)-1H-1,6-naphthyridin-2-one
SMILESCC(C)(C)Cc1cc2[nH]c(=O)ccc2cn1
InChIInChI=1S/C13H16N2O/c1-13(2,3)7-10-6-11-9(8-14-10)4-5-12(16)15-11/h4-6,8H,7H2,1-3H3,(H,15,16)
InChIKeyJMDQLDSASZSLNS-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.51
Rot. Bonds1

About 7-(2,2-dimethylpropyl)-1H-1,6-naphthyridin-2-one

7-(2,2-dimethylpropyl)-1H-1,6-naphthyridin-2-one (PubChem CID 129274406) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 7-(2,2-dimethylpropyl)-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-(2,2-dimethylpropyl)-1H-1,6-naphthyridin-2-one
PubChem CID129274406
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name7-(2,2-dimethylpropyl)-1H-1,6-naphthyridin-2-one
SMILESCC(C)(C)Cc1cc2[nH]c(=O)ccc2cn1
InChIInChI=1S/C13H16N2O/c1-13(2,3)7-10-6-11-9(8-14-10)4-5-12(16)15-11/h4-6,8H,7H2,1-3H3,(H,15,16)
InChIKeyJMDQLDSASZSLNS-UHFFFAOYSA-N
XLogP2.51
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-dimethylpropyl)-1H-1,6-naphthyridin-2-one?
The IUPAC name of 7-(2,2-dimethylpropyl)-1H-1,6-naphthyridin-2-one (CID 129274406) is 7-(2,2-dimethylpropyl)-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-(2,2-dimethylpropyl)-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 7-(2,2-dimethylpropyl)-1H-1,6-naphthyridin-2-one is CC(C)(C)Cc1cc2[nH]c(=O)ccc2cn1.
What is the InChIKey of 7-(2,2-dimethylpropyl)-1H-1,6-naphthyridin-2-one?
The InChIKey is JMDQLDSASZSLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-13(2,3)7-10-6-11-9(8-14-10)4-5-12(16)15-11/h4-6,8H,7H2,1-3H3,(H,15,16).
What are the key properties of 7-(2,2-dimethylpropyl)-1H-1,6-naphthyridin-2-one?
7-(2,2-dimethylpropyl)-1H-1,6-naphthyridin-2-one has a molecular weight of 216.28 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-dimethylpropyl)-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 129274406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).