2-(3-chlorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one

C20H23ClN2O4 — CID 163338667

IUPAC2-(3-chlorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one
SMILESCOCCOc1ccc2c(n1)CCN(C(=O)C(C)Oc1cccc(Cl)c1)C2
InChIInChI=1S/C20H23ClN2O4/c1-14(27-17-5-3-4-16(21)12-17)20(24)23-9-8-18-15(13-23)6-7-19(22-18)26-11-10-25-2/h3-7,12,14H,8-11,13H2,1-2H3
InChIKeyOQBVYISKWIJVRB-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.11
Rot. Bonds7

About 2-(3-chlorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one

2-(3-chlorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one (PubChem CID 163338667) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one
PubChem CID163338667
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name2-(3-chlorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one
SMILESCOCCOc1ccc2c(n1)CCN(C(=O)C(C)Oc1cccc(Cl)c1)C2
InChIInChI=1S/C20H23ClN2O4/c1-14(27-17-5-3-4-16(21)12-17)20(24)23-9-8-18-15(13-23)6-7-19(22-18)26-11-10-25-2/h3-7,12,14H,8-11,13H2,1-2H3
InChIKeyOQBVYISKWIJVRB-UHFFFAOYSA-N
XLogP3.11
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 4196050
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CID 169413425
2-(2-methoxyethoxy)-N-(2-methylphenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 91917909
(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 897812
(2S)-2-(3-chlorophenoxy)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 95111868
2-(3-chlorophenoxy)-1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 53193575
(2-ethylpyrazol-3-yl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 91917917
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CID 55185310
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CID 898248
1-[(2S)-2-(3-chlorophenoxy)propanoyl]-4-(2-methylpropyl)-1,4-diazepan-5-one
CID 25364187
2-(3-chlorophenoxy)-1-[4-(2-methylpropyl)piperazin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one?
The IUPAC name of 2-(3-chlorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one (CID 163338667) is 2-(3-chlorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one?
The canonical SMILES for 2-(3-chlorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one is COCCOc1ccc2c(n1)CCN(C(=O)C(C)Oc1cccc(Cl)c1)C2.
What is the InChIKey of 2-(3-chlorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one?
The InChIKey is OQBVYISKWIJVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-14(27-17-5-3-4-16(21)12-17)20(24)23-9-8-18-15(13-23)6-7-19(22-18)26-11-10-25-2/h3-7,12,14H,8-11,13H2,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one?
2-(3-chlorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one has a molecular weight of 390.87 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one is sourced from PubChem (CID 163338667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).