2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one

C24H28F2N4O4 — CID 86300846

IUPAC2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(NCCN4CCOCC4)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C24H28F2N4O4/c1-32-17-12-18(33-2)21(26)22(20(17)25)30-14-15-13-28-19(11-16(15)24(3-4-24)23(30)31)27-5-6-29-7-9-34-10-8-29/h11-13H,3-10,14H2,1-2H3,(H,27,28)
InChIKeyKCTAFCBIIMHTHL-UHFFFAOYSA-N
MW474.51 g/mol
LogP2.70
Rot. Bonds7

About 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one

2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (PubChem CID 86300846) has the molecular formula C24H28F2N4O4 and a molecular weight of 474.51 g/mol. Its IUPAC name is 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
PubChem CID86300846
Molecular FormulaC24H28F2N4O4
Molecular Weight474.51 g/mol
Exact Mass474.21
IUPAC Name2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(NCCN4CCOCC4)cc3C3(CC3)C2=O)c1F
InChIInChI=1S/C24H28F2N4O4/c1-32-17-12-18(33-2)21(26)22(20(17)25)30-14-15-13-28-19(11-16(15)24(3-4-24)23(30)31)27-5-6-29-7-9-34-10-8-29/h11-13H,3-10,14H2,1-2H3,(H,27,28)
InChIKeyKCTAFCBIIMHTHL-UHFFFAOYSA-N
XLogP2.70
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The IUPAC name of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (CID 86300846) is 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one.
What is the SMILES notation for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The canonical SMILES for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is COc1cc(OC)c(F)c(N2Cc3cnc(NCCN4CCOCC4)cc3C3(CC3)C2=O)c1F.
What is the InChIKey of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The InChIKey is KCTAFCBIIMHTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N4O4/c1-32-17-12-18(33-2)21(26)22(20(17)25)30-14-15-13-28-19(11-16(15)24(3-4-24)23(30)31)27-5-6-29-7-9-34-10-8-29/h11-13H,3-10,14H2,1-2H3,(H,27,28).
What are the key properties of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one has a molecular weight of 474.51 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is sourced from PubChem (CID 86300846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).