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

C19H19F2N3O3 — CID 86301155

IUPAC2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(methylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCNc1cc2c(cn1)CN(c1c(F)c(OC)cc(OC)c1F)C(=O)C21CC1
InChIInChI=1S/C19H19F2N3O3/c1-22-14-6-11-10(8-23-14)9-24(18(25)19(11)4-5-19)17-15(20)12(26-2)7-13(27-3)16(17)21/h6-8H,4-5,9H2,1-3H3,(H,22,23)
InChIKeyNWBYJLBUUNLMHP-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.00
Rot. Bonds4

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

2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(methylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (PubChem CID 86301155) has the molecular formula C19H19F2N3O3 and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(methylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(methylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
PubChem CID86301155
Molecular FormulaC19H19F2N3O3
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(methylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
SMILESCNc1cc2c(cn1)CN(c1c(F)c(OC)cc(OC)c1F)C(=O)C21CC1
InChIInChI=1S/C19H19F2N3O3/c1-22-14-6-11-10(8-23-14)9-24(18(25)19(11)4-5-19)17-15(20)12(26-2)7-13(27-3)16(17)21/h6-8H,4-5,9H2,1-3H3,(H,22,23)
InChIKeyNWBYJLBUUNLMHP-UHFFFAOYSA-N
XLogP3.00
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

US10131667, Example 59
CID 86705643
(3S)-1-[2-(3,5-dimethoxyanilino)pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 57326706
US10131667, Example 77
CID 72947402
US10131667, Example 37
CID 86705611
US10131667, Example 49
CID 86705636
US10131667, Example 122
CID 90030816
11-(2,6-Difluoro-3,5-dimethoxyphenyl)-3,3,13-trimethyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-4,12-dione
CID 164612498
11-(2,6-Difluoro-3,5-dimethoxyphenyl)-13-ethylspiro[5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-3,1'-cyclopropane]-4,12-dione
CID 164618305
11-(2,6-Difluoro-3,5-dimethoxyphenyl)-1',13-dimethylspiro[5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-3,4'-piperidine]-4,12-dione
CID 164624773
11-(2,6-Difluoro-3,5-dimethoxyphenyl)-13-(2-hydroxyethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,6,8-triene-4,12-dione
CID 164629041
US10131667, Example 48
CID 72946764
US10131667, Example 50
CID 72946765

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(methylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The IUPAC name of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(methylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one (CID 86301155) is 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(methylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one.
What is the SMILES notation for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(methylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The canonical SMILES for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(methylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is CNc1cc2c(cn1)CN(c1c(F)c(OC)cc(OC)c1F)C(=O)C21CC1.
What is the InChIKey of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(methylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
The InChIKey is NWBYJLBUUNLMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3/c1-22-14-6-11-10(8-23-14)9-24(18(25)19(11)4-5-19)17-15(20)12(26-2)7-13(27-3)16(17)21/h6-8H,4-5,9H2,1-3H3,(H,22,23).
What are the key properties of 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(methylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one?
2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(methylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one has a molecular weight of 375.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluoro-3,5-dimethoxyphenyl)-6-(methylamino)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one is sourced from PubChem (CID 86301155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).