6-ethyl-3-[(E)-1-hydroxybut-1-enyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

C15H22N2O2 — CID 167510777

IUPAC6-ethyl-3-[(E)-1-hydroxybut-1-enyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC/C=C(/O)c1cc2c(n(C)c1=O)CCN(CC)C2
InChIInChI=1S/C15H22N2O2/c1-4-6-14(18)12-9-11-10-17(5-2)8-7-13(11)16(3)15(12)19/h6,9,18H,4-5,7-8,10H2,1-3H3/b14-6+
InChIKeyNRNJPSUPGFSXKN-MKMNVTDBSA-N
MW262.35 g/mol
LogP2.07
Rot. Bonds3

About 6-ethyl-3-[(E)-1-hydroxybut-1-enyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

6-ethyl-3-[(E)-1-hydroxybut-1-enyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 167510777) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-ethyl-3-[(E)-1-hydroxybut-1-enyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-ethyl-3-[(E)-1-hydroxybut-1-enyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID167510777
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-ethyl-3-[(E)-1-hydroxybut-1-enyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC/C=C(/O)c1cc2c(n(C)c1=O)CCN(CC)C2
InChIInChI=1S/C15H22N2O2/c1-4-6-14(18)12-9-11-10-17(5-2)8-7-13(11)16(3)15(12)19/h6,9,18H,4-5,7-8,10H2,1-3H3/b14-6+
InChIKeyNRNJPSUPGFSXKN-MKMNVTDBSA-N
XLogP2.07
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 6-ethyl-3-[(E)-1-hydroxybut-1-enyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one with MolForge

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Related Compounds

6-ethyl-1-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbaldehyde
CID 82521685
6-ethyl-3-(ethylaminomethyl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521683
6-ethyl-1-methyl-3-(sulfanylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521667
6-ethyl-1-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521684
3-[(cyclopropylamino)methyl]-6-ethyl-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521680
6-ethyl-1-(2-methoxyethyl)-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbohydrazide
CID 82521395
6-ethyl-3-[(2-methoxyethylamino)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521675
1-cyclopropyl-6-ethyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carbothioamide
CID 82521558
1-methyl-5-propyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 53213213
1-cyclopropyl-6-ethyl-3-(2-hydroxypropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521552
1-butan-2-yl-6-ethyl-3-(2-hydroxypropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521486
3-amino-6-ethyl-1-pentyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82466803

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[(E)-1-hydroxybut-1-enyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 6-ethyl-3-[(E)-1-hydroxybut-1-enyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 167510777) is 6-ethyl-3-[(E)-1-hydroxybut-1-enyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-ethyl-3-[(E)-1-hydroxybut-1-enyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 6-ethyl-3-[(E)-1-hydroxybut-1-enyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is CC/C=C(/O)c1cc2c(n(C)c1=O)CCN(CC)C2.
What is the InChIKey of 6-ethyl-3-[(E)-1-hydroxybut-1-enyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is NRNJPSUPGFSXKN-MKMNVTDBSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-6-14(18)12-9-11-10-17(5-2)8-7-13(11)16(3)15(12)19/h6,9,18H,4-5,7-8,10H2,1-3H3/b14-6+.
What are the key properties of 6-ethyl-3-[(E)-1-hydroxybut-1-enyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
6-ethyl-3-[(E)-1-hydroxybut-1-enyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 262.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[(E)-1-hydroxybut-1-enyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 167510777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).