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

C19H28N2O3 — CID 91917896

IUPAC3-cyclopentyl-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one
SMILESCOCCOc1ccc2c(n1)CCN(C(=O)CCC1CCCC1)C2
InChIInChI=1S/C19H28N2O3/c1-23-12-13-24-18-8-7-16-14-21(11-10-17(16)20-18)19(22)9-6-15-4-2-3-5-15/h7-8,15H,2-6,9-14H2,1H3
InChIKeyCENLBGVPQPLYHI-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.96
Rot. Bonds7

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

3-cyclopentyl-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one (PubChem CID 91917896) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 3-cyclopentyl-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one
PubChem CID91917896
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name3-cyclopentyl-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one
SMILESCOCCOc1ccc2c(n1)CCN(C(=O)CCC1CCCC1)C2
InChIInChI=1S/C19H28N2O3/c1-23-12-13-24-18-8-7-16-14-21(11-10-17(16)20-18)19(22)9-6-15-4-2-3-5-15/h7-8,15H,2-6,9-14H2,1H3
InChIKeyCENLBGVPQPLYHI-UHFFFAOYSA-N
XLogP2.96
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-cyclopentyl-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one (CID 91917896) is 3-cyclopentyl-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one is COCCOc1ccc2c(n1)CCN(C(=O)CCC1CCCC1)C2.
What is the InChIKey of 3-cyclopentyl-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one?
The InChIKey is CENLBGVPQPLYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-23-12-13-24-18-8-7-16-14-21(11-10-17(16)20-18)19(22)9-6-15-4-2-3-5-15/h7-8,15H,2-6,9-14H2,1H3.
What are the key properties of 3-cyclopentyl-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one?
3-cyclopentyl-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one has a molecular weight of 332.44 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propan-1-one is sourced from PubChem (CID 91917896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).