1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-hydroxy-3-methylhexan-1-one

C15H22N2O2 — CID 154873944

IUPAC1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-hydroxy-3-methylhexan-1-one
SMILESCCCC(C)(O)CC(=O)N1CCc2ncccc2C1
InChIInChI=1S/C15H22N2O2/c1-3-7-15(2,19)10-14(18)17-9-6-13-12(11-17)5-4-8-16-13/h4-5,8,19H,3,6-7,9-11H2,1-2H3
InChIKeyIBZYOWHTHCZXBH-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.91
Rot. Bonds4

About 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-hydroxy-3-methylhexan-1-one

1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-hydroxy-3-methylhexan-1-one (PubChem CID 154873944) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-hydroxy-3-methylhexan-1-one.

Molecular Properties

Compound Name1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-hydroxy-3-methylhexan-1-one
PubChem CID154873944
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-hydroxy-3-methylhexan-1-one
SMILESCCCC(C)(O)CC(=O)N1CCc2ncccc2C1
InChIInChI=1S/C15H22N2O2/c1-3-7-15(2,19)10-14(18)17-9-6-13-12(11-17)5-4-8-16-13/h4-5,8,19H,3,6-7,9-11H2,1-2H3
InChIKeyIBZYOWHTHCZXBH-UHFFFAOYSA-N
XLogP1.91
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 64591824
2-(tert-butylamino)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 79257456
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methoxyethanone
CID 64592092
3-chloro-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,2-dimethylpropan-1-one
CID 63680928
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-4-(methylamino)butan-1-one
CID 60862591
(2S)-2-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)pentan-1-one
CID 93342682
7-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)heptan-1-one
CID 60862584
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methylpropan-1-one
CID 64591291
N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 175128670
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-piperidin-4-ylethanone
CID 54910538
2-(2-aminoethoxy)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 79472972
2-(1-aminocyclohexyl)-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 64683261

Frequently Asked Questions

What is the IUPAC name of 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-hydroxy-3-methylhexan-1-one?
The IUPAC name of 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-hydroxy-3-methylhexan-1-one (CID 154873944) is 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-hydroxy-3-methylhexan-1-one.
What is the SMILES notation for 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-hydroxy-3-methylhexan-1-one?
The canonical SMILES for 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-hydroxy-3-methylhexan-1-one is CCCC(C)(O)CC(=O)N1CCc2ncccc2C1.
What is the InChIKey of 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-hydroxy-3-methylhexan-1-one?
The InChIKey is IBZYOWHTHCZXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-7-15(2,19)10-14(18)17-9-6-13-12(11-17)5-4-8-16-13/h4-5,8,19H,3,6-7,9-11H2,1-2H3.
What are the key properties of 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-hydroxy-3-methylhexan-1-one?
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-hydroxy-3-methylhexan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-3-hydroxy-3-methylhexan-1-one is sourced from PubChem (CID 154873944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).