7-[4-(8-ethoxy-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butoxy]-1H-1,8-naphthyridin-2-one

C25H27N3O4 — CID 175444037

IUPAC7-[4-(8-ethoxy-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butoxy]-1H-1,8-naphthyridin-2-one
SMILESCCOc1cccc2c3c(oc12)CN(CCCCOc1ccc2ccc(=O)[nH]c2n1)CC3
InChIInChI=1S/C25H27N3O4/c1-2-30-20-7-5-6-19-18-12-14-28(16-21(18)32-24(19)20)13-3-4-15-31-23-11-9-17-8-10-22(29)26-25(17)27-23/h5-11H,2-4,12-16H2,1H3,(H,26,27,29)
InChIKeyMHJSCOUUJRIWGA-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.29
Rot. Bonds8

About 7-[4-(8-ethoxy-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butoxy]-1H-1,8-naphthyridin-2-one

7-[4-(8-ethoxy-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butoxy]-1H-1,8-naphthyridin-2-one (PubChem CID 175444037) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 7-[4-(8-ethoxy-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butoxy]-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-[4-(8-ethoxy-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butoxy]-1H-1,8-naphthyridin-2-one
PubChem CID175444037
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name7-[4-(8-ethoxy-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butoxy]-1H-1,8-naphthyridin-2-one
SMILESCCOc1cccc2c3c(oc12)CN(CCCCOc1ccc2ccc(=O)[nH]c2n1)CC3
InChIInChI=1S/C25H27N3O4/c1-2-30-20-7-5-6-19-18-12-14-28(16-21(18)32-24(19)20)13-3-4-15-31-23-11-9-17-8-10-22(29)26-25(17)27-23/h5-11H,2-4,12-16H2,1H3,(H,26,27,29)
InChIKeyMHJSCOUUJRIWGA-UHFFFAOYSA-N
XLogP4.29
TPSA80.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 7-[4-(8-ethoxy-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butoxy]-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-[4-(8-ethoxy-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butoxy]-1H-1,8-naphthyridin-2-one (CID 175444037) is 7-[4-(8-ethoxy-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butoxy]-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-[4-(8-ethoxy-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butoxy]-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-[4-(8-ethoxy-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butoxy]-1H-1,8-naphthyridin-2-one is CCOc1cccc2c3c(oc12)CN(CCCCOc1ccc2ccc(=O)[nH]c2n1)CC3.
What is the InChIKey of 7-[4-(8-ethoxy-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butoxy]-1H-1,8-naphthyridin-2-one?
The InChIKey is MHJSCOUUJRIWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-2-30-20-7-5-6-19-18-12-14-28(16-21(18)32-24(19)20)13-3-4-15-31-23-11-9-17-8-10-22(29)26-25(17)27-23/h5-11H,2-4,12-16H2,1H3,(H,26,27,29).
What are the key properties of 7-[4-(8-ethoxy-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butoxy]-1H-1,8-naphthyridin-2-one?
7-[4-(8-ethoxy-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butoxy]-1H-1,8-naphthyridin-2-one has a molecular weight of 433.51 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(8-ethoxy-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butoxy]-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 175444037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).