(3,4-dimethoxyphenyl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

C20H24N2O5 — CID 91907670

IUPAC(3,4-dimethoxyphenyl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCOCCOc1ccc2c(n1)CCN(C(=O)c1ccc(OC)c(OC)c1)C2
InChIInChI=1S/C20H24N2O5/c1-24-10-11-27-19-7-5-15-13-22(9-8-16(15)21-19)20(23)14-4-6-17(25-2)18(12-14)26-3/h4-7,12H,8-11,13H2,1-3H3
InChIKeyYPJAYZVJFJICFY-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.32
Rot. Bonds7

About (3,4-dimethoxyphenyl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

(3,4-dimethoxyphenyl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 91907670) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
PubChem CID91907670
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name(3,4-dimethoxyphenyl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCOCCOc1ccc2c(n1)CCN(C(=O)c1ccc(OC)c(OC)c1)C2
InChIInChI=1S/C20H24N2O5/c1-24-10-11-27-19-7-5-15-13-22(9-8-16(15)21-19)20(23)14-4-6-17(25-2)18(12-14)26-3/h4-7,12H,8-11,13H2,1-3H3
InChIKeyYPJAYZVJFJICFY-UHFFFAOYSA-N
XLogP2.32
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 91907670) is (3,4-dimethoxyphenyl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is COCCOc1ccc2c(n1)CCN(C(=O)c1ccc(OC)c(OC)c1)C2.
What is the InChIKey of (3,4-dimethoxyphenyl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The InChIKey is YPJAYZVJFJICFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-24-10-11-27-19-7-5-15-13-22(9-8-16(15)21-19)20(23)14-4-6-17(25-2)18(12-14)26-3/h4-7,12H,8-11,13H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
(3,4-dimethoxyphenyl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 372.42 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 91907670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).