tert-butyl (3R,5S,10R)-10-(6-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-phenyl-1,9-diazaspiro[4.5]decane-9-carboxylate

C30H39N3O4 — CID 90982828

IUPACtert-butyl (3R,5S,10R)-10-(6-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-phenyl-1,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCOc1cc2c(cc1[C@H]1N(C(=O)OC(C)(C)C)CCC[C@]13C[C@H](c1ccccc1)CN3)N(C)C(=O)CC2
InChIInChI=1S/C30H39N3O4/c1-29(2,3)37-28(35)33-15-9-14-30(18-22(19-31-30)20-10-7-6-8-11-20)27(33)23-17-24-21(16-25(23)36-5)12-13-26(34)32(24)4/h6-8,10-11,16-17,22,27,31H,9,12-15,18-19H2,1-5H3/t22-,27+,30-/m0/s1
InChIKeyBXJOFMOIXXHFNJ-OQTGDVNSSA-N
MW505.66 g/mol
LogP5.19
Rot. Bonds3

About tert-butyl (3R,5S,10R)-10-(6-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-phenyl-1,9-diazaspiro[4.5]decane-9-carboxylate

tert-butyl (3R,5S,10R)-10-(6-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-phenyl-1,9-diazaspiro[4.5]decane-9-carboxylate (PubChem CID 90982828) has the molecular formula C30H39N3O4 and a molecular weight of 505.66 g/mol. Its IUPAC name is tert-butyl (3R,5S,10R)-10-(6-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-phenyl-1,9-diazaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,5S,10R)-10-(6-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-phenyl-1,9-diazaspiro[4.5]decane-9-carboxylate
PubChem CID90982828
Molecular FormulaC30H39N3O4
Molecular Weight505.66 g/mol
Exact Mass505.29
IUPAC Nametert-butyl (3R,5S,10R)-10-(6-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-phenyl-1,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCOc1cc2c(cc1[C@H]1N(C(=O)OC(C)(C)C)CCC[C@]13C[C@H](c1ccccc1)CN3)N(C)C(=O)CC2
InChIInChI=1S/C30H39N3O4/c1-29(2,3)37-28(35)33-15-9-14-30(18-22(19-31-30)20-10-7-6-8-11-20)27(33)23-17-24-21(16-25(23)36-5)12-13-26(34)32(24)4/h6-8,10-11,16-17,22,27,31H,9,12-15,18-19H2,1-5H3/t22-,27+,30-/m0/s1
InChIKeyBXJOFMOIXXHFNJ-OQTGDVNSSA-N
XLogP5.19
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.66
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (3R,5S,10R)-10-(6-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-phenyl-1,9-diazaspiro[4.5]decane-9-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

6-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid
CID 68935618
tert-butyl (1R)-6,7-dimethoxy-1-[(E)-2-phenylethenyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 134952659
tert-butyl 2-oxo-7-[(4-phenylcyclohexyl)oxymethyl]-1,8-diazaspiro[5.5]undecane-8-carboxylate
CID 166107607
tert-butyl (6R,7R)-3-methyl-2-oxo-7-[(4-phenylcyclohexyl)oxymethyl]-1,3,8-triazaspiro[5.5]undecane-8-carboxylate
CID 170774809
7-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 117209612
tert-butyl 3-hydroxy-3-[(Z)-3-hydroxy-2-(2-methoxyphenyl)prop-1-enyl]-2-phenylpiperidine-1-carboxylate
CID 70290292
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
tert-butyl 3-phenylpyrrolidine-1-carboxylate;ethane;3-phenylpyrrolidine
CID 158730195
tert-butyl 3-oxo-2-phenylpyrrolidine-1-carboxylate
CID 11414318
tert-butyl 3-[[6-methoxy-1-methyl-1-(trifluoromethyl)-3,4-dihydroisochromen-7-yl]methylamino]-2-phenylpiperidine-1-carboxylate
CID 21202088
tert-butyl 4,4-difluoro-2-phenylpiperidine-1-carboxylate
CID 67505810
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-2-carboxylic acid
CID 45073940

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,5S,10R)-10-(6-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-phenyl-1,9-diazaspiro[4.5]decane-9-carboxylate?
The IUPAC name of tert-butyl (3R,5S,10R)-10-(6-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-phenyl-1,9-diazaspiro[4.5]decane-9-carboxylate (CID 90982828) is tert-butyl (3R,5S,10R)-10-(6-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-phenyl-1,9-diazaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for tert-butyl (3R,5S,10R)-10-(6-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-phenyl-1,9-diazaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for tert-butyl (3R,5S,10R)-10-(6-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-phenyl-1,9-diazaspiro[4.5]decane-9-carboxylate is COc1cc2c(cc1[C@H]1N(C(=O)OC(C)(C)C)CCC[C@]13C[C@H](c1ccccc1)CN3)N(C)C(=O)CC2.
What is the InChIKey of tert-butyl (3R,5S,10R)-10-(6-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-phenyl-1,9-diazaspiro[4.5]decane-9-carboxylate?
The InChIKey is BXJOFMOIXXHFNJ-OQTGDVNSSA-N. The full InChI is InChI=1S/C30H39N3O4/c1-29(2,3)37-28(35)33-15-9-14-30(18-22(19-31-30)20-10-7-6-8-11-20)27(33)23-17-24-21(16-25(23)36-5)12-13-26(34)32(24)4/h6-8,10-11,16-17,22,27,31H,9,12-15,18-19H2,1-5H3/t22-,27+,30-/m0/s1.
What are the key properties of tert-butyl (3R,5S,10R)-10-(6-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-phenyl-1,9-diazaspiro[4.5]decane-9-carboxylate?
tert-butyl (3R,5S,10R)-10-(6-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-phenyl-1,9-diazaspiro[4.5]decane-9-carboxylate has a molecular weight of 505.66 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5S,10R)-10-(6-methoxy-1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-3-phenyl-1,9-diazaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 90982828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).