7-tert-butyl-2-propan-2-yl-6,8-dihydro-5H-2,7-naphthyridin-1-one

C15H24N2O — CID 59802809

IUPAC7-tert-butyl-2-propan-2-yl-6,8-dihydro-5H-2,7-naphthyridin-1-one
SMILESCC(C)n1ccc2c(c1=O)CN(C(C)(C)C)CC2
InChIInChI=1S/C15H24N2O/c1-11(2)17-9-7-12-6-8-16(15(3,4)5)10-13(12)14(17)18/h7,9,11H,6,8,10H2,1-5H3
InChIKeyFUPYEJYMXWXSGM-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.59
Rot. Bonds1

About 7-tert-butyl-2-propan-2-yl-6,8-dihydro-5H-2,7-naphthyridin-1-one

7-tert-butyl-2-propan-2-yl-6,8-dihydro-5H-2,7-naphthyridin-1-one (PubChem CID 59802809) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 7-tert-butyl-2-propan-2-yl-6,8-dihydro-5H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name7-tert-butyl-2-propan-2-yl-6,8-dihydro-5H-2,7-naphthyridin-1-one
PubChem CID59802809
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name7-tert-butyl-2-propan-2-yl-6,8-dihydro-5H-2,7-naphthyridin-1-one
SMILESCC(C)n1ccc2c(c1=O)CN(C(C)(C)C)CC2
InChIInChI=1S/C15H24N2O/c1-11(2)17-9-7-12-6-8-16(15(3,4)5)10-13(12)14(17)18/h7,9,11H,6,8,10H2,1-5H3
InChIKeyFUPYEJYMXWXSGM-UHFFFAOYSA-N
XLogP2.59
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-propan-2-yl-6,8-dihydro-5H-2,7-naphthyridin-1-one?
The IUPAC name of 7-tert-butyl-2-propan-2-yl-6,8-dihydro-5H-2,7-naphthyridin-1-one (CID 59802809) is 7-tert-butyl-2-propan-2-yl-6,8-dihydro-5H-2,7-naphthyridin-1-one.
What is the SMILES notation for 7-tert-butyl-2-propan-2-yl-6,8-dihydro-5H-2,7-naphthyridin-1-one?
The canonical SMILES for 7-tert-butyl-2-propan-2-yl-6,8-dihydro-5H-2,7-naphthyridin-1-one is CC(C)n1ccc2c(c1=O)CN(C(C)(C)C)CC2.
What is the InChIKey of 7-tert-butyl-2-propan-2-yl-6,8-dihydro-5H-2,7-naphthyridin-1-one?
The InChIKey is FUPYEJYMXWXSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)17-9-7-12-6-8-16(15(3,4)5)10-13(12)14(17)18/h7,9,11H,6,8,10H2,1-5H3.
What are the key properties of 7-tert-butyl-2-propan-2-yl-6,8-dihydro-5H-2,7-naphthyridin-1-one?
7-tert-butyl-2-propan-2-yl-6,8-dihydro-5H-2,7-naphthyridin-1-one has a molecular weight of 248.37 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-2-propan-2-yl-6,8-dihydro-5H-2,7-naphthyridin-1-one is sourced from PubChem (CID 59802809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).