7-(3-oxobutan-2-yl)-1,2,3,4-tetrahydro-1,7-naphthyridin-8-one

C12H16N2O2 — CID 54080032

IUPAC7-(3-oxobutan-2-yl)-1,2,3,4-tetrahydro-1,7-naphthyridin-8-one
SMILESCC(=O)C(C)n1ccc2c(c1=O)NCCC2
InChIInChI=1S/C12H16N2O2/c1-8(9(2)15)14-7-5-10-4-3-6-13-11(10)12(14)16/h5,7-8,13H,3-4,6H2,1-2H3
InChIKeyMMLKUFZJTSELAT-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.36
Rot. Bonds2

About 7-(3-oxobutan-2-yl)-1,2,3,4-tetrahydro-1,7-naphthyridin-8-one

7-(3-oxobutan-2-yl)-1,2,3,4-tetrahydro-1,7-naphthyridin-8-one (PubChem CID 54080032) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 7-(3-oxobutan-2-yl)-1,2,3,4-tetrahydro-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name7-(3-oxobutan-2-yl)-1,2,3,4-tetrahydro-1,7-naphthyridin-8-one
PubChem CID54080032
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name7-(3-oxobutan-2-yl)-1,2,3,4-tetrahydro-1,7-naphthyridin-8-one
SMILESCC(=O)C(C)n1ccc2c(c1=O)NCCC2
InChIInChI=1S/C12H16N2O2/c1-8(9(2)15)14-7-5-10-4-3-6-13-11(10)12(14)16/h5,7-8,13H,3-4,6H2,1-2H3
InChIKeyMMLKUFZJTSELAT-UHFFFAOYSA-N
XLogP1.36
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-2-(5-oxo-1,2,3,4-tetrahydro-1,6-naphthyridin-6-yl)acetamide
CID 90655130
N-(3-methylbutyl)-2-(1-methyl-5-oxo-3,4-dihydro-2H-1,6-naphthyridin-6-yl)acetamide
CID 90670066
2-acetamido-N-[1-(cyclopropylmethyl)-2-oxo-5,6,7,8-tetrahydroquinolin-6-yl]acetamide
CID 118738999
(3R)-3-[(2R)-butan-2-yl]-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,6-dione
CID 10061683
(3S)-3-[(2R)-butan-2-yl]-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,6-dione
CID 10378435
(3R)-3-[(2S)-butan-2-yl]-4-methyl-2,3-dihydropyrrolo[3,4-b]quinoline-1,6-dione
CID 163194998
1,2,3,4,7,8-Hexahydro-1,7-naphthyridin-8-one hydrochloride
CID 122164536
N,1-dimethyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95560877
2-(3-amino-2-oxo-1H-pyridin-4-yl)-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
CID 67821216
1,2,3,4,7,8-Hexahydro-1,7-naphthyridin-8-one
CID 84649420
1-(2-Fluoroprop-2-enoyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one
CID 166417494
N,1-dimethyl-N-[1-methyl-2-(methylamino)-2-oxoethyl]-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide (non-preferred name)
CID 56880466

Frequently Asked Questions

What is the IUPAC name of 7-(3-oxobutan-2-yl)-1,2,3,4-tetrahydro-1,7-naphthyridin-8-one?
The IUPAC name of 7-(3-oxobutan-2-yl)-1,2,3,4-tetrahydro-1,7-naphthyridin-8-one (CID 54080032) is 7-(3-oxobutan-2-yl)-1,2,3,4-tetrahydro-1,7-naphthyridin-8-one.
What is the SMILES notation for 7-(3-oxobutan-2-yl)-1,2,3,4-tetrahydro-1,7-naphthyridin-8-one?
The canonical SMILES for 7-(3-oxobutan-2-yl)-1,2,3,4-tetrahydro-1,7-naphthyridin-8-one is CC(=O)C(C)n1ccc2c(c1=O)NCCC2.
What is the InChIKey of 7-(3-oxobutan-2-yl)-1,2,3,4-tetrahydro-1,7-naphthyridin-8-one?
The InChIKey is MMLKUFZJTSELAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(9(2)15)14-7-5-10-4-3-6-13-11(10)12(14)16/h5,7-8,13H,3-4,6H2,1-2H3.
What are the key properties of 7-(3-oxobutan-2-yl)-1,2,3,4-tetrahydro-1,7-naphthyridin-8-one?
7-(3-oxobutan-2-yl)-1,2,3,4-tetrahydro-1,7-naphthyridin-8-one has a molecular weight of 220.27 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-oxobutan-2-yl)-1,2,3,4-tetrahydro-1,7-naphthyridin-8-one is sourced from PubChem (CID 54080032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).