5-[(2S,6R)-2-[[8-(2,6-dimethyl-4-pyridinyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile

C29H34N6O2 — CID 146276284

IUPAC5-[(2S,6R)-2-[[8-(2,6-dimethyl-4-pyridinyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
SMILESCc1cc(N2CCOC3(CN(C[C@H]4CN(c5ccc(C#N)c6ncccc56)C[C@@H](C)O4)C3)C2)cc(C)n1
InChIInChI=1S/C29H34N6O2/c1-20-11-24(12-21(2)32-20)34-9-10-36-29(19-34)17-33(18-29)15-25-16-35(14-22(3)37-25)27-7-6-23(13-30)28-26(27)5-4-8-31-28/h4-8,11-12,22,25H,9-10,14-19H2,1-3H3/t22-,25+/m1/s1
InChIKeyXZUHSBGRCNJJIK-RDGATRHJSA-N
MW498.63 g/mol
LogP3.30
Rot. Bonds4

About 5-[(2S,6R)-2-[[8-(2,6-dimethyl-4-pyridinyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile

5-[(2S,6R)-2-[[8-(2,6-dimethyl-4-pyridinyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile (PubChem CID 146276284) has the molecular formula C29H34N6O2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 5-[(2S,6R)-2-[[8-(2,6-dimethyl-4-pyridinyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile.

Molecular Properties

Compound Name5-[(2S,6R)-2-[[8-(2,6-dimethyl-4-pyridinyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
PubChem CID146276284
Molecular FormulaC29H34N6O2
Molecular Weight498.63 g/mol
Exact Mass498.27
IUPAC Name5-[(2S,6R)-2-[[8-(2,6-dimethyl-4-pyridinyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
SMILESCc1cc(N2CCOC3(CN(C[C@H]4CN(c5ccc(C#N)c6ncccc56)C[C@@H](C)O4)C3)C2)cc(C)n1
InChIInChI=1S/C29H34N6O2/c1-20-11-24(12-21(2)32-20)34-9-10-36-29(19-34)17-33(18-29)15-25-16-35(14-22(3)37-25)27-7-6-23(13-30)28-26(27)5-4-8-31-28/h4-8,11-12,22,25H,9-10,14-19H2,1-3H3/t22-,25+/m1/s1
InChIKeyXZUHSBGRCNJJIK-RDGATRHJSA-N
XLogP3.30
TPSA77.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[(2S,6R)-2-[[8-(2,6-dimethyl-4-pyridinyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6R)-2-[[8-(2,6-dimethyl-4-pyridinyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
The IUPAC name of 5-[(2S,6R)-2-[[8-(2,6-dimethyl-4-pyridinyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile (CID 146276284) is 5-[(2S,6R)-2-[[8-(2,6-dimethyl-4-pyridinyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile.
What is the SMILES notation for 5-[(2S,6R)-2-[[8-(2,6-dimethyl-4-pyridinyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
The canonical SMILES for 5-[(2S,6R)-2-[[8-(2,6-dimethyl-4-pyridinyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile is Cc1cc(N2CCOC3(CN(C[C@H]4CN(c5ccc(C#N)c6ncccc56)C[C@@H](C)O4)C3)C2)cc(C)n1.
What is the InChIKey of 5-[(2S,6R)-2-[[8-(2,6-dimethyl-4-pyridinyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
The InChIKey is XZUHSBGRCNJJIK-RDGATRHJSA-N. The full InChI is InChI=1S/C29H34N6O2/c1-20-11-24(12-21(2)32-20)34-9-10-36-29(19-34)17-33(18-29)15-25-16-35(14-22(3)37-25)27-7-6-23(13-30)28-26(27)5-4-8-31-28/h4-8,11-12,22,25H,9-10,14-19H2,1-3H3/t22-,25+/m1/s1.
What are the key properties of 5-[(2S,6R)-2-[[8-(2,6-dimethyl-4-pyridinyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?
5-[(2S,6R)-2-[[8-(2,6-dimethyl-4-pyridinyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile has a molecular weight of 498.63 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6R)-2-[[8-(2,6-dimethyl-4-pyridinyl)-5-oxa-2,8-diazaspiro[3.5]nonan-2-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 146276284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).