tert-butyl (5R)-7-[3-(hydroxymethyl)quinolin-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate

C22H29N3O3 — CID 99713936

IUPACtert-butyl (5R)-7-[3-(hydroxymethyl)quinolin-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@]2(CCN(c3nc4ccccc4cc3CO)C2)C1
InChIInChI=1S/C22H29N3O3/c1-21(2,3)28-20(27)25-11-9-22(15-25)8-10-24(14-22)19-17(13-26)12-16-6-4-5-7-18(16)23-19/h4-7,12,26H,8-11,13-15H2,1-3H3/t22-/m1/s1
InChIKeyJDUZWNISSIMFCK-JOCHJYFZSA-N
MW383.49 g/mol
LogP3.56
Rot. Bonds2

About tert-butyl (5R)-7-[3-(hydroxymethyl)quinolin-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate

tert-butyl (5R)-7-[3-(hydroxymethyl)quinolin-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate (PubChem CID 99713936) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is tert-butyl (5R)-7-[3-(hydroxymethyl)quinolin-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-7-[3-(hydroxymethyl)quinolin-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate
PubChem CID99713936
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Nametert-butyl (5R)-7-[3-(hydroxymethyl)quinolin-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@]2(CCN(c3nc4ccccc4cc3CO)C2)C1
InChIInChI=1S/C22H29N3O3/c1-21(2,3)28-20(27)25-11-9-22(15-25)8-10-24(14-22)19-17(13-26)12-16-6-4-5-7-18(16)23-19/h4-7,12,26H,8-11,13-15H2,1-3H3/t22-/m1/s1
InChIKeyJDUZWNISSIMFCK-JOCHJYFZSA-N
XLogP3.56
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (5R)-7-[3-(hydroxymethyl)quinolin-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 8-isoquinolin-4-yl-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 134145695
tert-butyl 7-(2-methoxy-4-pyridinyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 135301753
tert-butyl 7-(2-aminophenyl)-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 89272008
tert-butyl 7-[3-cyano-4-(5-ethyl-1H-indazol-4-yl)quinolin-2-yl]-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 167037439
tert-butyl 2-(4-chloro-2-fluorophenyl)-2,7-diazaspiro[3.4]octane-7-carboxylate
CID 164573214
tert-butyl 8-(5-ethyl-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 167233315
[2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]quinolin-3-yl]methanol
CID 166208321
tert-butyl 2-[6-(2-phenylethyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 168924966
tert-butyl 3-hydroxy-3-quinolin-3-ylazetidine-1-carboxylate
CID 103695996
tert-butyl 7-[3-cyclopropyl-4-(5-methyl-1H-indazol-4-yl)quinolin-2-yl]-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 167037877
tert-butyl 7-[[4-(hydroxymethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 162353689
tert-butyl 7-[2-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 134241477

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-7-[3-(hydroxymethyl)quinolin-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate?
The IUPAC name of tert-butyl (5R)-7-[3-(hydroxymethyl)quinolin-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate (CID 99713936) is tert-butyl (5R)-7-[3-(hydroxymethyl)quinolin-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl (5R)-7-[3-(hydroxymethyl)quinolin-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate?
The canonical SMILES for tert-butyl (5R)-7-[3-(hydroxymethyl)quinolin-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate is CC(C)(C)OC(=O)N1CC[C@@]2(CCN(c3nc4ccccc4cc3CO)C2)C1.
What is the InChIKey of tert-butyl (5R)-7-[3-(hydroxymethyl)quinolin-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate?
The InChIKey is JDUZWNISSIMFCK-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-21(2,3)28-20(27)25-11-9-22(15-25)8-10-24(14-22)19-17(13-26)12-16-6-4-5-7-18(16)23-19/h4-7,12,26H,8-11,13-15H2,1-3H3/t22-/m1/s1.
What are the key properties of tert-butyl (5R)-7-[3-(hydroxymethyl)quinolin-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate?
tert-butyl (5R)-7-[3-(hydroxymethyl)quinolin-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate has a molecular weight of 383.49 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-7-[3-(hydroxymethyl)quinolin-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate is sourced from PubChem (CID 99713936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).