1,7-ditert-butyl-3,8-dihydro-2H-1,7-naphthyridin-4-one

C16H26N2O — CID 20773088

IUPAC1,7-ditert-butyl-3,8-dihydro-2H-1,7-naphthyridin-4-one
SMILESCC(C)(C)N1C=CC2=C(C1)N(C(C)(C)C)CCC2=O
InChIInChI=1S/C16H26N2O/c1-15(2,3)17-9-7-12-13(11-17)18(16(4,5)6)10-8-14(12)19/h7,9H,8,10-11H2,1-6H3
InChIKeyWVTANQGLFHNQKU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.94
Rot. Bonds

About 1,7-ditert-butyl-3,8-dihydro-2H-1,7-naphthyridin-4-one

1,7-ditert-butyl-3,8-dihydro-2H-1,7-naphthyridin-4-one (PubChem CID 20773088) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1,7-ditert-butyl-3,8-dihydro-2H-1,7-naphthyridin-4-one.

Molecular Properties

Compound Name1,7-ditert-butyl-3,8-dihydro-2H-1,7-naphthyridin-4-one
PubChem CID20773088
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1,7-ditert-butyl-3,8-dihydro-2H-1,7-naphthyridin-4-one
SMILESCC(C)(C)N1C=CC2=C(C1)N(C(C)(C)C)CCC2=O
InChIInChI=1S/C16H26N2O/c1-15(2,3)17-9-7-12-13(11-17)18(16(4,5)6)10-8-14(12)19/h7,9H,8,10-11H2,1-6H3
InChIKeyWVTANQGLFHNQKU-UHFFFAOYSA-N
XLogP2.94
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,7-Ditert-butyl-2,3-dihydro-1,7-naphthyridine-4,8-dione
CID 20773084
1-Propan-2-yl-2,3,7,8-tetrahydroquinolin-4-one
CID 58715561
2-(cyclohexa-1,3-dien-1-ylmethyl)-3-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;ethane
CID 145320348
2-[(Z,6E)-6-ethylidenedec-7-en-5-yl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 145320375
2-[(2E)-2-[(Z)-but-2-en-2-yl]penta-2,4-dienyl]-9-methyl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 166726008
ethane;(1E)-1-ethylidene-3-methyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one
CID 169152773
(9E)-9-[(Z)-but-2-enylidene]-1,2,4,7-tetramethyl-3,4-dihydropyrido[1,2-a]pyrazin-8-one;ethane
CID 169152871
ethane;(3E,4E)-4-ethylidene-1-methyl-3-prop-2-enylidenequinolizin-2-one
CID 169153001
(9E)-9-[(Z)-but-2-enylidene]-1-ethenyl-4,7-dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrazin-8-one;ethane
CID 169153112
ethane;(1E)-1-ethylidene-3,6-dimethyl-9-[(Z)-prop-1-enyl]-7,8-dihydro-6H-quinolizin-2-one
CID 169153429
bis(4H-quinolizin-3-yl)methanone
CID 174760273
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3-dimethyl-6,7-dihydroquinolin-4-one
CID 16117134

Frequently Asked Questions

What is the IUPAC name of 1,7-ditert-butyl-3,8-dihydro-2H-1,7-naphthyridin-4-one?
The IUPAC name of 1,7-ditert-butyl-3,8-dihydro-2H-1,7-naphthyridin-4-one (CID 20773088) is 1,7-ditert-butyl-3,8-dihydro-2H-1,7-naphthyridin-4-one.
What is the SMILES notation for 1,7-ditert-butyl-3,8-dihydro-2H-1,7-naphthyridin-4-one?
The canonical SMILES for 1,7-ditert-butyl-3,8-dihydro-2H-1,7-naphthyridin-4-one is CC(C)(C)N1C=CC2=C(C1)N(C(C)(C)C)CCC2=O.
What is the InChIKey of 1,7-ditert-butyl-3,8-dihydro-2H-1,7-naphthyridin-4-one?
The InChIKey is WVTANQGLFHNQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-15(2,3)17-9-7-12-13(11-17)18(16(4,5)6)10-8-14(12)19/h7,9H,8,10-11H2,1-6H3.
What are the key properties of 1,7-ditert-butyl-3,8-dihydro-2H-1,7-naphthyridin-4-one?
1,7-ditert-butyl-3,8-dihydro-2H-1,7-naphthyridin-4-one has a molecular weight of 262.40 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-ditert-butyl-3,8-dihydro-2H-1,7-naphthyridin-4-one is sourced from PubChem (CID 20773088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).