1,7-ditert-butyl-2,3-dihydro-1,7-naphthyridine-4,8-dione

C16H24N2O2 — CID 20773084

IUPAC1,7-ditert-butyl-2,3-dihydro-1,7-naphthyridine-4,8-dione
SMILESCC(C)(C)N1CCC(=O)c2ccn(C(C)(C)C)c(=O)c21
InChIInChI=1S/C16H24N2O2/c1-15(2,3)17-10-8-12(19)11-7-9-18(16(4,5)6)14(20)13(11)17/h7,9H,8,10H2,1-6H3
InChIKeyWTIOSVKDVSBJHV-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.79
Rot. Bonds

About 1,7-ditert-butyl-2,3-dihydro-1,7-naphthyridine-4,8-dione

1,7-ditert-butyl-2,3-dihydro-1,7-naphthyridine-4,8-dione (PubChem CID 20773084) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1,7-ditert-butyl-2,3-dihydro-1,7-naphthyridine-4,8-dione.

Molecular Properties

Compound Name1,7-ditert-butyl-2,3-dihydro-1,7-naphthyridine-4,8-dione
PubChem CID20773084
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1,7-ditert-butyl-2,3-dihydro-1,7-naphthyridine-4,8-dione
SMILESCC(C)(C)N1CCC(=O)c2ccn(C(C)(C)C)c(=O)c21
InChIInChI=1S/C16H24N2O2/c1-15(2,3)17-10-8-12(19)11-7-9-18(16(4,5)6)14(20)13(11)17/h7,9H,8,10H2,1-6H3
InChIKeyWTIOSVKDVSBJHV-UHFFFAOYSA-N
XLogP2.79
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,7-ditert-butyl-3,4-dihydro-2H-1,7-naphthyridin-8-one
CID 20773087
1,7-ditert-butyl-3,8-dihydro-2H-1,7-naphthyridin-4-one
CID 20773088
7-(3-Oxobutan-2-yl)-1,2,3,4-tetrahydro-1,7-naphthyridin-8-one
CID 54080032
1,8-ditert-butyl-3,7-dihydro-2H-pyrido[2,3-c]azepine-4,9-dione
CID 20773237
2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N,N-dimethylacetamide
CID 81104622
2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N-ethyl-N-methylacetamide
CID 81108836
2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)-N,N-diethylacetamide
CID 81109278

Frequently Asked Questions

What is the IUPAC name of 1,7-ditert-butyl-2,3-dihydro-1,7-naphthyridine-4,8-dione?
The IUPAC name of 1,7-ditert-butyl-2,3-dihydro-1,7-naphthyridine-4,8-dione (CID 20773084) is 1,7-ditert-butyl-2,3-dihydro-1,7-naphthyridine-4,8-dione.
What is the SMILES notation for 1,7-ditert-butyl-2,3-dihydro-1,7-naphthyridine-4,8-dione?
The canonical SMILES for 1,7-ditert-butyl-2,3-dihydro-1,7-naphthyridine-4,8-dione is CC(C)(C)N1CCC(=O)c2ccn(C(C)(C)C)c(=O)c21.
What is the InChIKey of 1,7-ditert-butyl-2,3-dihydro-1,7-naphthyridine-4,8-dione?
The InChIKey is WTIOSVKDVSBJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-15(2,3)17-10-8-12(19)11-7-9-18(16(4,5)6)14(20)13(11)17/h7,9H,8,10H2,1-6H3.
What are the key properties of 1,7-ditert-butyl-2,3-dihydro-1,7-naphthyridine-4,8-dione?
1,7-ditert-butyl-2,3-dihydro-1,7-naphthyridine-4,8-dione has a molecular weight of 276.38 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-ditert-butyl-2,3-dihydro-1,7-naphthyridine-4,8-dione is sourced from PubChem (CID 20773084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).