4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2H-2,7-naphthyridin-1-one

C14H14N2O — CID 167300766

IUPAC4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2H-2,7-naphthyridin-1-one
SMILESC/C=C\C(=C/C)c1c[nH]c(=O)c2cnccc12
InChIInChI=1S/C14H14N2O/c1-3-5-10(4-2)12-9-16-14(17)13-8-15-7-6-11(12)13/h3-9H,1-2H3,(H,16,17)/b5-3-,10-4+
InChIKeyLALFYUDCIQZSTR-FJQHFOHYSA-N
MW226.28 g/mol
LogP2.90
Rot. Bonds2

About 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2H-2,7-naphthyridin-1-one

4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2H-2,7-naphthyridin-1-one (PubChem CID 167300766) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2H-2,7-naphthyridin-1-one
PubChem CID167300766
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2H-2,7-naphthyridin-1-one
SMILESC/C=C\C(=C/C)c1c[nH]c(=O)c2cnccc12
InChIInChI=1S/C14H14N2O/c1-3-5-10(4-2)12-9-16-14(17)13-8-15-7-6-11(12)13/h3-9H,1-2H3,(H,16,17)/b5-3-,10-4+
InChIKeyLALFYUDCIQZSTR-FJQHFOHYSA-N
XLogP2.90
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2H-2,7-naphthyridin-1-one (CID 167300766) is 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2H-2,7-naphthyridin-1-one is C/C=C\C(=C/C)c1c[nH]c(=O)c2cnccc12.
What is the InChIKey of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2H-2,7-naphthyridin-1-one?
The InChIKey is LALFYUDCIQZSTR-FJQHFOHYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-3-5-10(4-2)12-9-16-14(17)13-8-15-7-6-11(12)13/h3-9H,1-2H3,(H,16,17)/b5-3-,10-4+.
What are the key properties of 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2H-2,7-naphthyridin-1-one?
4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2H-2,7-naphthyridin-1-one has a molecular weight of 226.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-hexa-2,4-dien-3-yl]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 167300766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).