ethyl 8-(2-ethyl-1-oxo-3H-isoindol-5-yl)-6,7-dihydro-5H-1,8-naphthyridine-3-carboxylate

C21H23N3O3 — CID 154994092

IUPACethyl 8-(2-ethyl-1-oxo-3H-isoindol-5-yl)-6,7-dihydro-5H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2c(c1)CCCN2c1ccc2c(c1)CN(CC)C2=O
InChIInChI=1S/C21H23N3O3/c1-3-23-13-16-11-17(7-8-18(16)20(23)25)24-9-5-6-14-10-15(12-22-19(14)24)21(26)27-4-2/h7-8,10-12H,3-6,9,13H2,1-2H3
InChIKeyVFMLLNCHVWHJCT-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.32
Rot. Bonds4

About ethyl 8-(2-ethyl-1-oxo-3H-isoindol-5-yl)-6,7-dihydro-5H-1,8-naphthyridine-3-carboxylate

ethyl 8-(2-ethyl-1-oxo-3H-isoindol-5-yl)-6,7-dihydro-5H-1,8-naphthyridine-3-carboxylate (PubChem CID 154994092) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is ethyl 8-(2-ethyl-1-oxo-3H-isoindol-5-yl)-6,7-dihydro-5H-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-(2-ethyl-1-oxo-3H-isoindol-5-yl)-6,7-dihydro-5H-1,8-naphthyridine-3-carboxylate
PubChem CID154994092
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Nameethyl 8-(2-ethyl-1-oxo-3H-isoindol-5-yl)-6,7-dihydro-5H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2c(c1)CCCN2c1ccc2c(c1)CN(CC)C2=O
InChIInChI=1S/C21H23N3O3/c1-3-23-13-16-11-17(7-8-18(16)20(23)25)24-9-5-6-14-10-15(12-22-19(14)24)21(26)27-4-2/h7-8,10-12H,3-6,9,13H2,1-2H3
InChIKeyVFMLLNCHVWHJCT-UHFFFAOYSA-N
XLogP3.32
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 8-(2-ethyl-1-oxo-3H-isoindol-5-yl)-6,7-dihydro-5H-1,8-naphthyridine-3-carboxylate with MolForge

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Related Compounds

2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3H-isoindol-1-one
CID 154994948
5-[6-[(3S)-3-(difluoromethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-ethyl-3H-isoindol-1-one
CID 154994586
2-ethyl-5-[6-[4-fluoro-3-methyl-4-[(E)-prop-1-enyl]piperidine-1-carbonyl]-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-3H-isoindol-1-one
CID 166887164
2-(2-ethoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one
CID 166887007
2-(2-methoxyethyl)-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one
CID 166886458
5-[6-(4,4-difluoropiperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroisoindol-1-one
CID 154995043
[8-(4-methoxyphenyl)-6,7-dihydro-5H-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
CID 154994822
1-[4-[6-(1,3-dihydroisoindole-2-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2-ethylphenyl]-2-methylpropan-1-one
CID 166887048
ethyl 2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-7-carboxylate
CID 116993198
2-[2-(oxetan-3-yl)ethyl]-5-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,3-dihydroinden-1-one
CID 166887023
ethyl 4-(2-oxoazepan-1-yl)benzoate
CID 168817150
4-[6-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]benzenecarboximidamide
CID 166886356

Frequently Asked Questions

What is the IUPAC name of ethyl 8-(2-ethyl-1-oxo-3H-isoindol-5-yl)-6,7-dihydro-5H-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 8-(2-ethyl-1-oxo-3H-isoindol-5-yl)-6,7-dihydro-5H-1,8-naphthyridine-3-carboxylate (CID 154994092) is ethyl 8-(2-ethyl-1-oxo-3H-isoindol-5-yl)-6,7-dihydro-5H-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 8-(2-ethyl-1-oxo-3H-isoindol-5-yl)-6,7-dihydro-5H-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 8-(2-ethyl-1-oxo-3H-isoindol-5-yl)-6,7-dihydro-5H-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cnc2c(c1)CCCN2c1ccc2c(c1)CN(CC)C2=O.
What is the InChIKey of ethyl 8-(2-ethyl-1-oxo-3H-isoindol-5-yl)-6,7-dihydro-5H-1,8-naphthyridine-3-carboxylate?
The InChIKey is VFMLLNCHVWHJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-3-23-13-16-11-17(7-8-18(16)20(23)25)24-9-5-6-14-10-15(12-22-19(14)24)21(26)27-4-2/h7-8,10-12H,3-6,9,13H2,1-2H3.
What are the key properties of ethyl 8-(2-ethyl-1-oxo-3H-isoindol-5-yl)-6,7-dihydro-5H-1,8-naphthyridine-3-carboxylate?
ethyl 8-(2-ethyl-1-oxo-3H-isoindol-5-yl)-6,7-dihydro-5H-1,8-naphthyridine-3-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(2-ethyl-1-oxo-3H-isoindol-5-yl)-6,7-dihydro-5H-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 154994092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).