2-tert-butyl-1H-1,8-naphthyridin-4-one

C12H14N2O — CID 84670757

IUPAC2-tert-butyl-1H-1,8-naphthyridin-4-one
SMILESCC(C)(C)c1cc(=O)c2cccnc2[nH]1
InChIInChI=1S/C12H14N2O/c1-12(2,3)10-7-9(15)8-5-4-6-13-11(8)14-10/h4-7H,1-3H3,(H,13,14,15)
InChIKeyABRCLPBRYOPMKE-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.22
Rot. Bonds

About 2-tert-butyl-1H-1,8-naphthyridin-4-one

2-tert-butyl-1H-1,8-naphthyridin-4-one (PubChem CID 84670757) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-tert-butyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-tert-butyl-1H-1,8-naphthyridin-4-one
PubChem CID84670757
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-tert-butyl-1H-1,8-naphthyridin-4-one
SMILESCC(C)(C)c1cc(=O)c2cccnc2[nH]1
InChIInChI=1S/C12H14N2O/c1-12(2,3)10-7-9(15)8-5-4-6-13-11(8)14-10/h4-7H,1-3H3,(H,13,14,15)
InChIKeyABRCLPBRYOPMKE-UHFFFAOYSA-N
XLogP2.22
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 2-tert-butyl-1H-1,8-naphthyridin-4-one (CID 84670757) is 2-tert-butyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-tert-butyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 2-tert-butyl-1H-1,8-naphthyridin-4-one is CC(C)(C)c1cc(=O)c2cccnc2[nH]1.
What is the InChIKey of 2-tert-butyl-1H-1,8-naphthyridin-4-one?
The InChIKey is ABRCLPBRYOPMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-12(2,3)10-7-9(15)8-5-4-6-13-11(8)14-10/h4-7H,1-3H3,(H,13,14,15).
What are the key properties of 2-tert-butyl-1H-1,8-naphthyridin-4-one?
2-tert-butyl-1H-1,8-naphthyridin-4-one has a molecular weight of 202.26 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 84670757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).