1-ethyl-3-(3-methoxypropyl)-7-methyl-1,8-naphthyridin-2-one

C15H20N2O2 — CID 172792101

IUPAC1-ethyl-3-(3-methoxypropyl)-7-methyl-1,8-naphthyridin-2-one
SMILESCCn1c(=O)c(CCCOC)cc2ccc(C)nc21
InChIInChI=1S/C15H20N2O2/c1-4-17-14-12(8-7-11(2)16-14)10-13(15(17)18)6-5-9-19-3/h7-8,10H,4-6,9H2,1-3H3
InChIKeyPSBAPATUTZTSMG-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.30
Rot. Bonds5

About 1-ethyl-3-(3-methoxypropyl)-7-methyl-1,8-naphthyridin-2-one

1-ethyl-3-(3-methoxypropyl)-7-methyl-1,8-naphthyridin-2-one (PubChem CID 172792101) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-ethyl-3-(3-methoxypropyl)-7-methyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(3-methoxypropyl)-7-methyl-1,8-naphthyridin-2-one
PubChem CID172792101
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-ethyl-3-(3-methoxypropyl)-7-methyl-1,8-naphthyridin-2-one
SMILESCCn1c(=O)c(CCCOC)cc2ccc(C)nc21
InChIInChI=1S/C15H20N2O2/c1-4-17-14-12(8-7-11(2)16-14)10-13(15(17)18)6-5-9-19-3/h7-8,10H,4-6,9H2,1-3H3
InChIKeyPSBAPATUTZTSMG-UHFFFAOYSA-N
XLogP2.30
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.30
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 1-ethyl-3-(3-methoxypropyl)-7-methyl-1,8-naphthyridin-2-one?
The IUPAC name of 1-ethyl-3-(3-methoxypropyl)-7-methyl-1,8-naphthyridin-2-one (CID 172792101) is 1-ethyl-3-(3-methoxypropyl)-7-methyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-ethyl-3-(3-methoxypropyl)-7-methyl-1,8-naphthyridin-2-one?
The canonical SMILES for 1-ethyl-3-(3-methoxypropyl)-7-methyl-1,8-naphthyridin-2-one is CCn1c(=O)c(CCCOC)cc2ccc(C)nc21.
What is the InChIKey of 1-ethyl-3-(3-methoxypropyl)-7-methyl-1,8-naphthyridin-2-one?
The InChIKey is PSBAPATUTZTSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-17-14-12(8-7-11(2)16-14)10-13(15(17)18)6-5-9-19-3/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 1-ethyl-3-(3-methoxypropyl)-7-methyl-1,8-naphthyridin-2-one?
1-ethyl-3-(3-methoxypropyl)-7-methyl-1,8-naphthyridin-2-one has a molecular weight of 260.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methoxypropyl)-7-methyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 172792101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).