tert-butyl 8-(6-fluoro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate

C23H30FN3O3 — CID 157041209

IUPACtert-butyl 8-(6-fluoro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
SMILESCOc1cc2nccc(N3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)c2cc1F
InChIInChI=1S/C23H30FN3O3/c1-22(2,3)30-21(28)27-12-8-23(15-27)6-10-26(11-7-23)19-5-9-25-18-14-20(29-4)17(24)13-16(18)19/h5,9,13-14H,6-8,10-12,15H2,1-4H3
InChIKeyNRBGVGMIKVLRIX-UHFFFAOYSA-N
MW415.51 g/mol
LogP4.61
Rot. Bonds2

About tert-butyl 8-(6-fluoro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate

tert-butyl 8-(6-fluoro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate (PubChem CID 157041209) has the molecular formula C23H30FN3O3 and a molecular weight of 415.51 g/mol. Its IUPAC name is tert-butyl 8-(6-fluoro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-(6-fluoro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
PubChem CID157041209
Molecular FormulaC23H30FN3O3
Molecular Weight415.51 g/mol
Exact Mass415.23
IUPAC Nametert-butyl 8-(6-fluoro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
SMILESCOc1cc2nccc(N3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)c2cc1F
InChIInChI=1S/C23H30FN3O3/c1-22(2,3)30-21(28)27-12-8-23(15-27)6-10-26(11-7-23)19-5-9-25-18-14-20(29-4)17(24)13-16(18)19/h5,9,13-14H,6-8,10-12,15H2,1-4H3
InChIKeyNRBGVGMIKVLRIX-UHFFFAOYSA-N
XLogP4.61
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 8-(6-fluoro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate with MolForge

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Related Compounds

1-(7-fluoro-6-methoxyquinolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052611
tert-butyl 8-(6-acetyloxy-7-methoxyquinazolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 157041014
tert-butyl 7-(2-methoxy-4-pyridinyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 135301753
CID 160639767
CID 160639767
tert-butyl 4-(6-fluoroquinolin-4-yl)piperazine-1-carboxylate
CID 121318185
tert-butyl 8-(5-fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 156821670
tert-butyl 2-(4-chloro-2-fluorophenyl)-2,7-diazaspiro[3.4]octane-7-carboxylate
CID 164573214
tert-butyl 3-(4-chloro-7-methoxyquinolin-6-yl)-3-methoxyazetidine-1-carboxylate
CID 164596786
tert-butyl 8-isoquinolin-4-yl-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 134145695
tert-butyl 8-(6-amino-3-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 170040628
tert-butyl 8-(8-chloro-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 167233063
tert-butyl 4-(6-formylquinolin-4-yl)piperazine-1-carboxylate
CID 58441664

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-(6-fluoro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate?
The IUPAC name of tert-butyl 8-(6-fluoro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate (CID 157041209) is tert-butyl 8-(6-fluoro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for tert-butyl 8-(6-fluoro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for tert-butyl 8-(6-fluoro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate is COc1cc2nccc(N3CCC4(CCN(C(=O)OC(C)(C)C)C4)CC3)c2cc1F.
What is the InChIKey of tert-butyl 8-(6-fluoro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate?
The InChIKey is NRBGVGMIKVLRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O3/c1-22(2,3)30-21(28)27-12-8-23(15-27)6-10-26(11-7-23)19-5-9-25-18-14-20(29-4)17(24)13-16(18)19/h5,9,13-14H,6-8,10-12,15H2,1-4H3.
What are the key properties of tert-butyl 8-(6-fluoro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate?
tert-butyl 8-(6-fluoro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate has a molecular weight of 415.51 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-(6-fluoro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 157041209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).