6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-3-(2,2,6,6-tetramethylmorpholine-4-carbonyl)-1,8-naphthyridin-4-one

C28H33N3O4 — CID 146487736

IUPAC6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-3-(2,2,6,6-tetramethylmorpholine-4-carbonyl)-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2CC(C)(C)OC(C)(C)C2)c(=O)c2cc(OC3Cc4ccccc4C3)cnc21
InChIInChI=1S/C28H33N3O4/c1-6-30-15-23(26(33)31-16-27(2,3)35-28(4,5)17-31)24(32)22-13-21(14-29-25(22)30)34-20-11-18-9-7-8-10-19(18)12-20/h7-10,13-15,20H,6,11-12,16-17H2,1-5H3
InChIKeyLFMWVYHFISFHLG-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.99
Rot. Bonds4

About 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-3-(2,2,6,6-tetramethylmorpholine-4-carbonyl)-1,8-naphthyridin-4-one

6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-3-(2,2,6,6-tetramethylmorpholine-4-carbonyl)-1,8-naphthyridin-4-one (PubChem CID 146487736) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-3-(2,2,6,6-tetramethylmorpholine-4-carbonyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-3-(2,2,6,6-tetramethylmorpholine-4-carbonyl)-1,8-naphthyridin-4-one
PubChem CID146487736
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC Name6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-3-(2,2,6,6-tetramethylmorpholine-4-carbonyl)-1,8-naphthyridin-4-one
SMILESCCn1cc(C(=O)N2CC(C)(C)OC(C)(C)C2)c(=O)c2cc(OC3Cc4ccccc4C3)cnc21
InChIInChI=1S/C28H33N3O4/c1-6-30-15-23(26(33)31-16-27(2,3)35-28(4,5)17-31)24(32)22-13-21(14-29-25(22)30)34-20-11-18-9-7-8-10-19(18)12-20/h7-10,13-15,20H,6,11-12,16-17H2,1-5H3
InChIKeyLFMWVYHFISFHLG-UHFFFAOYSA-N
XLogP3.99
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-3-(2,2,6,6-tetramethylmorpholine-4-carbonyl)-1,8-naphthyridin-4-one?
The IUPAC name of 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-3-(2,2,6,6-tetramethylmorpholine-4-carbonyl)-1,8-naphthyridin-4-one (CID 146487736) is 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-3-(2,2,6,6-tetramethylmorpholine-4-carbonyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-3-(2,2,6,6-tetramethylmorpholine-4-carbonyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-3-(2,2,6,6-tetramethylmorpholine-4-carbonyl)-1,8-naphthyridin-4-one is CCn1cc(C(=O)N2CC(C)(C)OC(C)(C)C2)c(=O)c2cc(OC3Cc4ccccc4C3)cnc21.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-3-(2,2,6,6-tetramethylmorpholine-4-carbonyl)-1,8-naphthyridin-4-one?
The InChIKey is LFMWVYHFISFHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-6-30-15-23(26(33)31-16-27(2,3)35-28(4,5)17-31)24(32)22-13-21(14-29-25(22)30)34-20-11-18-9-7-8-10-19(18)12-20/h7-10,13-15,20H,6,11-12,16-17H2,1-5H3.
What are the key properties of 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-3-(2,2,6,6-tetramethylmorpholine-4-carbonyl)-1,8-naphthyridin-4-one?
6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-3-(2,2,6,6-tetramethylmorpholine-4-carbonyl)-1,8-naphthyridin-4-one has a molecular weight of 475.59 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-2-yloxy)-1-ethyl-3-(2,2,6,6-tetramethylmorpholine-4-carbonyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 146487736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).