1-(5-ethylhepta-1,3,5-trien-3-yl)-7,8-di(ethylidene)-1,6-naphthyridin-2-one

C21H24N2O — CID 123652990

IUPAC1-(5-ethylhepta-1,3,5-trien-3-yl)-7,8-di(ethylidene)-1,6-naphthyridin-2-one
SMILESC=CC(=CC(=CC)CC)n1c(=O)ccc2cnc(=CC)c(=CC)c21
InChIInChI=1S/C21H24N2O/c1-6-15(7-2)13-17(8-3)23-20(24)12-11-16-14-22-19(10-5)18(9-4)21(16)23/h6,8-14H,3,7H2,1-2,4-5H3
InChIKeyJIVOVXVFAZNADY-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.38
Rot. Bonds4

About 1-(5-ethylhepta-1,3,5-trien-3-yl)-7,8-di(ethylidene)-1,6-naphthyridin-2-one

1-(5-ethylhepta-1,3,5-trien-3-yl)-7,8-di(ethylidene)-1,6-naphthyridin-2-one (PubChem CID 123652990) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(5-ethylhepta-1,3,5-trien-3-yl)-7,8-di(ethylidene)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-(5-ethylhepta-1,3,5-trien-3-yl)-7,8-di(ethylidene)-1,6-naphthyridin-2-one
PubChem CID123652990
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name1-(5-ethylhepta-1,3,5-trien-3-yl)-7,8-di(ethylidene)-1,6-naphthyridin-2-one
SMILESC=CC(=CC(=CC)CC)n1c(=O)ccc2cnc(=CC)c(=CC)c21
InChIInChI=1S/C21H24N2O/c1-6-15(7-2)13-17(8-3)23-20(24)12-11-16-14-22-19(10-5)18(9-4)21(16)23/h6,8-14H,3,7H2,1-2,4-5H3
InChIKeyJIVOVXVFAZNADY-UHFFFAOYSA-N
XLogP3.38
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylhepta-1,3,5-trien-3-yl)-7,8-di(ethylidene)-1,6-naphthyridin-2-one?
The IUPAC name of 1-(5-ethylhepta-1,3,5-trien-3-yl)-7,8-di(ethylidene)-1,6-naphthyridin-2-one (CID 123652990) is 1-(5-ethylhepta-1,3,5-trien-3-yl)-7,8-di(ethylidene)-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-(5-ethylhepta-1,3,5-trien-3-yl)-7,8-di(ethylidene)-1,6-naphthyridin-2-one?
The canonical SMILES for 1-(5-ethylhepta-1,3,5-trien-3-yl)-7,8-di(ethylidene)-1,6-naphthyridin-2-one is C=CC(=CC(=CC)CC)n1c(=O)ccc2cnc(=CC)c(=CC)c21.
What is the InChIKey of 1-(5-ethylhepta-1,3,5-trien-3-yl)-7,8-di(ethylidene)-1,6-naphthyridin-2-one?
The InChIKey is JIVOVXVFAZNADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-6-15(7-2)13-17(8-3)23-20(24)12-11-16-14-22-19(10-5)18(9-4)21(16)23/h6,8-14H,3,7H2,1-2,4-5H3.
What are the key properties of 1-(5-ethylhepta-1,3,5-trien-3-yl)-7,8-di(ethylidene)-1,6-naphthyridin-2-one?
1-(5-ethylhepta-1,3,5-trien-3-yl)-7,8-di(ethylidene)-1,6-naphthyridin-2-one has a molecular weight of 320.44 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylhepta-1,3,5-trien-3-yl)-7,8-di(ethylidene)-1,6-naphthyridin-2-one is sourced from PubChem (CID 123652990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).