1,1,1-trifluoropropan-2-yl 7-[(1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate

C23H32F3N3O2 — CID 157323789

IUPAC1,1,1-trifluoropropan-2-yl 7-[(1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
SMILESCCN1CCCc2cccc(CN3CCC4(CC3)CN(C(=O)OC(C)C(F)(F)F)C4)c21
InChIInChI=1S/C23H32F3N3O2/c1-3-28-11-5-8-18-6-4-7-19(20(18)28)14-27-12-9-22(10-13-27)15-29(16-22)21(30)31-17(2)23(24,25)26/h4,6-7,17H,3,5,8-16H2,1-2H3
InChIKeyGILDWOLONXMSOJ-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.44
Rot. Bonds4

About 1,1,1-trifluoropropan-2-yl 7-[(1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate

1,1,1-trifluoropropan-2-yl 7-[(1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate (PubChem CID 157323789) has the molecular formula C23H32F3N3O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 1,1,1-trifluoropropan-2-yl 7-[(1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Name1,1,1-trifluoropropan-2-yl 7-[(1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
PubChem CID157323789
Molecular FormulaC23H32F3N3O2
Molecular Weight439.52 g/mol
Exact Mass439.24
IUPAC Name1,1,1-trifluoropropan-2-yl 7-[(1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
SMILESCCN1CCCc2cccc(CN3CCC4(CC3)CN(C(=O)OC(C)C(F)(F)F)C4)c21
InChIInChI=1S/C23H32F3N3O2/c1-3-28-11-5-8-18-6-4-7-19(20(18)28)14-27-12-9-22(10-13-27)15-29(16-22)21(30)31-17(2)23(24,25)26/h4,6-7,17H,3,5,8-16H2,1-2H3
InChIKeyGILDWOLONXMSOJ-UHFFFAOYSA-N
XLogP4.44
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,1,1-trifluoropropan-2-yl 7-[(1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropropan-2-yl 7-[(1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of 1,1,1-trifluoropropan-2-yl 7-[(1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate (CID 157323789) is 1,1,1-trifluoropropan-2-yl 7-[(1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for 1,1,1-trifluoropropan-2-yl 7-[(1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for 1,1,1-trifluoropropan-2-yl 7-[(1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate is CCN1CCCc2cccc(CN3CCC4(CC3)CN(C(=O)OC(C)C(F)(F)F)C4)c21.
What is the InChIKey of 1,1,1-trifluoropropan-2-yl 7-[(1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate?
The InChIKey is GILDWOLONXMSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F3N3O2/c1-3-28-11-5-8-18-6-4-7-19(20(18)28)14-27-12-9-22(10-13-27)15-29(16-22)21(30)31-17(2)23(24,25)26/h4,6-7,17H,3,5,8-16H2,1-2H3.
What are the key properties of 1,1,1-trifluoropropan-2-yl 7-[(1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate?
1,1,1-trifluoropropan-2-yl 7-[(1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate has a molecular weight of 439.52 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoropropan-2-yl 7-[(1-ethyl-3,4-dihydro-2H-quinolin-8-yl)methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 157323789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).