6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide

C30H34N4O5 — CID 166831155

IUPAC6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CC2(CCC2)C1)c1cc2cc(-c3ccc4c(c3)OCCO4)cnc2n(CCN2CCOCC2)c1=O
InChIInChI=1S/C30H34N4O5/c35-28(32-23-17-30(18-23)4-1-5-30)24-15-21-14-22(20-2-3-25-26(16-20)39-13-12-38-25)19-31-27(21)34(29(24)36)7-6-33-8-10-37-11-9-33/h2-3,14-16,19,23H,1,4-13,17-18H2,(H,32,35)
InChIKeyFESXYTHLDYICHF-UHFFFAOYSA-N
MW530.63 g/mol
LogP3.23
Rot. Bonds6

About 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide (PubChem CID 166831155) has the molecular formula C30H34N4O5 and a molecular weight of 530.63 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide
PubChem CID166831155
Molecular FormulaC30H34N4O5
Molecular Weight530.63 g/mol
Exact Mass530.25
IUPAC Name6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CC2(CCC2)C1)c1cc2cc(-c3ccc4c(c3)OCCO4)cnc2n(CCN2CCOCC2)c1=O
InChIInChI=1S/C30H34N4O5/c35-28(32-23-17-30(18-23)4-1-5-30)24-15-21-14-22(20-2-3-25-26(16-20)39-13-12-38-25)19-31-27(21)34(29(24)36)7-6-33-8-10-37-11-9-33/h2-3,14-16,19,23H,1,4-13,17-18H2,(H,32,35)
InChIKeyFESXYTHLDYICHF-UHFFFAOYSA-N
XLogP3.23
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.63
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide (CID 166831155) is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide is O=C(NC1CC2(CCC2)C1)c1cc2cc(-c3ccc4c(c3)OCCO4)cnc2n(CCN2CCOCC2)c1=O.
What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide?
The InChIKey is FESXYTHLDYICHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O5/c35-28(32-23-17-30(18-23)4-1-5-30)24-15-21-14-22(20-2-3-25-26(16-20)39-13-12-38-25)19-31-27(21)34(29(24)36)7-6-33-8-10-37-11-9-33/h2-3,14-16,19,23H,1,4-13,17-18H2,(H,32,35).
What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide?
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide has a molecular weight of 530.63 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).