[3-(5-methoxy-8-methyl-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl] acetate

C17H18N2O3 — CID 126619522

IUPAC[3-(5-methoxy-8-methyl-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl] acetate
SMILESCOc1nc(C2=CC(OC(C)=O)CC2)c(C)c2ncccc12
InChIInChI=1S/C17H18N2O3/c1-10-15(12-6-7-13(9-12)22-11(2)20)19-17(21-3)14-5-4-8-18-16(10)14/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyBHPIJNOGDKYRNL-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.06
Rot. Bonds3

About [3-(5-methoxy-8-methyl-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl] acetate

[3-(5-methoxy-8-methyl-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl] acetate (PubChem CID 126619522) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is [3-(5-methoxy-8-methyl-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[3-(5-methoxy-8-methyl-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl] acetate
PubChem CID126619522
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name[3-(5-methoxy-8-methyl-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl] acetate
SMILESCOc1nc(C2=CC(OC(C)=O)CC2)c(C)c2ncccc12
InChIInChI=1S/C17H18N2O3/c1-10-15(12-6-7-13(9-12)22-11(2)20)19-17(21-3)14-5-4-8-18-16(10)14/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyBHPIJNOGDKYRNL-UHFFFAOYSA-N
XLogP3.06
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(5-methoxy-8-methyl-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl] acetate?
The IUPAC name of [3-(5-methoxy-8-methyl-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl] acetate (CID 126619522) is [3-(5-methoxy-8-methyl-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [3-(5-methoxy-8-methyl-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl] acetate?
The canonical SMILES for [3-(5-methoxy-8-methyl-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl] acetate is COc1nc(C2=CC(OC(C)=O)CC2)c(C)c2ncccc12.
What is the InChIKey of [3-(5-methoxy-8-methyl-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl] acetate?
The InChIKey is BHPIJNOGDKYRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-10-15(12-6-7-13(9-12)22-11(2)20)19-17(21-3)14-5-4-8-18-16(10)14/h4-5,8-9,13H,6-7H2,1-3H3.
What are the key properties of [3-(5-methoxy-8-methyl-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl] acetate?
[3-(5-methoxy-8-methyl-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl] acetate has a molecular weight of 298.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methoxy-8-methyl-1,6-naphthyridin-7-yl)cyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 126619522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).