6-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-1-ethyl-1,8-naphthyridin-4-one

C26H27N3O5 — CID 162482186

IUPAC6-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-1-ethyl-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2C3COCC2COC3)c(=O)c2cc(OC3Cc4ccccc4C3)cnc21
InChIInChI=1S/C26H27N3O5/c1-2-28-11-23(26(31)29-18-12-32-14-19(29)15-33-13-18)24(30)22-9-21(10-27-25(22)28)34-20-7-16-5-3-4-6-17(16)8-20/h3-6,9-11,18-20H,2,7-8,12-15H2,1H3
InChIKeyVYRIRWFDUKEVNF-UHFFFAOYSA-N
MW461.52 g/mol
LogP2.20
Rot. Bonds4

About 6-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-1-ethyl-1,8-naphthyridin-4-one

6-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-1-ethyl-1,8-naphthyridin-4-one (PubChem CID 162482186) has the molecular formula C26H27N3O5 and a molecular weight of 461.52 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-1-ethyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-1-ethyl-1,8-naphthyridin-4-one
PubChem CID162482186
Molecular FormulaC26H27N3O5
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC Name6-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-1-ethyl-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2C3COCC2COC3)c(=O)c2cc(OC3Cc4ccccc4C3)cnc21
InChIInChI=1S/C26H27N3O5/c1-2-28-11-23(26(31)29-18-12-32-14-19(29)15-33-13-18)24(30)22-9-21(10-27-25(22)28)34-20-7-16-5-3-4-6-17(16)8-20/h3-6,9-11,18-20H,2,7-8,12-15H2,1H3
InChIKeyVYRIRWFDUKEVNF-UHFFFAOYSA-N
XLogP2.20
TPSA82.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-1-ethyl-1,8-naphthyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-1-ethyl-1,8-naphthyridin-4-one?
The IUPAC name of 6-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-1-ethyl-1,8-naphthyridin-4-one (CID 162482186) is 6-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-1-ethyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-1-ethyl-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-1-ethyl-1,8-naphthyridin-4-one is CCn1cc(C(=O)N2C3COCC2COC3)c(=O)c2cc(OC3Cc4ccccc4C3)cnc21.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-1-ethyl-1,8-naphthyridin-4-one?
The InChIKey is VYRIRWFDUKEVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5/c1-2-28-11-23(26(31)29-18-12-32-14-19(29)15-33-13-18)24(30)22-9-21(10-27-25(22)28)34-20-7-16-5-3-4-6-17(16)8-20/h3-6,9-11,18-20H,2,7-8,12-15H2,1H3.
What are the key properties of 6-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-1-ethyl-1,8-naphthyridin-4-one?
6-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-1-ethyl-1,8-naphthyridin-4-one has a molecular weight of 461.52 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-2-yloxy)-3-(3,7-dioxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)-1-ethyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 162482186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).