6-benzyl-5-ethyl-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one

C17H20N2O — CID 176924747

IUPAC6-benzyl-5-ethyl-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one
SMILESCCC1c2c([nH]ccc2=O)CCN1Cc1ccccc1
InChIInChI=1S/C17H20N2O/c1-2-15-17-14(18-10-8-16(17)20)9-11-19(15)12-13-6-4-3-5-7-13/h3-8,10,15H,2,9,11-12H2,1H3,(H,18,20)
InChIKeyPLXLBAULGUPKKM-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.88
Rot. Bonds3

About 6-benzyl-5-ethyl-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one

6-benzyl-5-ethyl-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one (PubChem CID 176924747) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-benzyl-5-ethyl-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name6-benzyl-5-ethyl-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one
PubChem CID176924747
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name6-benzyl-5-ethyl-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one
SMILESCCC1c2c([nH]ccc2=O)CCN1Cc1ccccc1
InChIInChI=1S/C17H20N2O/c1-2-15-17-14(18-10-8-16(17)20)9-11-19(15)12-13-6-4-3-5-7-13/h3-8,10,15H,2,9,11-12H2,1H3,(H,18,20)
InChIKeyPLXLBAULGUPKKM-UHFFFAOYSA-N
XLogP2.88
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 83848143
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CID 83851093
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CID 53444394
1-benzyl-2-propylpiperidin-4-one
CID 123828340
(4aR,7aR)-1-benzyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one
CID 7200726
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CID 95213149
1-benzyl-2-(1,1-difluoropropyl)piperidin-4-one
CID 121308578
(1S,5R)-2-benzyl-9-ethyl-2-azabicyclo[3.3.1]nonan-7-one
CID 134834962
(3aR,8aR)-1-benzyl-2,3,3a,4,6,7,8,8a-octahydropyrrolo[3,2-b]azepin-5-one
CID 84819083
(3aR,7aR)-1-benzyl-4-methyl-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one
CID 97460695
(3S)-4-benzyl-3-methylpiperazin-2-one
CID 129362839
2-(2-aminoethyl)-1-benzylazepan-3-one
CID 83488222

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5-ethyl-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one?
The IUPAC name of 6-benzyl-5-ethyl-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one (CID 176924747) is 6-benzyl-5-ethyl-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one.
What is the SMILES notation for 6-benzyl-5-ethyl-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one?
The canonical SMILES for 6-benzyl-5-ethyl-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one is CCC1c2c([nH]ccc2=O)CCN1Cc1ccccc1.
What is the InChIKey of 6-benzyl-5-ethyl-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one?
The InChIKey is PLXLBAULGUPKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-15-17-14(18-10-8-16(17)20)9-11-19(15)12-13-6-4-3-5-7-13/h3-8,10,15H,2,9,11-12H2,1H3,(H,18,20).
What are the key properties of 6-benzyl-5-ethyl-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one?
6-benzyl-5-ethyl-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one has a molecular weight of 268.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5-ethyl-1,5,7,8-tetrahydro-1,6-naphthyridin-4-one is sourced from PubChem (CID 176924747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).