2-azaspiro[3.3]heptan-6-yl-(6-fluoroquinolin-2-yl)carbamic acid

C16H16FN3O2 — CID 90107316

IUPAC2-azaspiro[3.3]heptan-6-yl-(6-fluoroquinolin-2-yl)carbamic acid
SMILESO=C(O)N(c1ccc2cc(F)ccc2n1)C1CC2(CNC2)C1
InChIInChI=1S/C16H16FN3O2/c17-11-2-3-13-10(5-11)1-4-14(19-13)20(15(21)22)12-6-16(7-12)8-18-9-16/h1-5,12,18H,6-9H2,(H,21,22)
InChIKeyFUCZCBFZYTZJNV-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.61
Rot. Bonds2

About 2-azaspiro[3.3]heptan-6-yl-(6-fluoroquinolin-2-yl)carbamic acid

2-azaspiro[3.3]heptan-6-yl-(6-fluoroquinolin-2-yl)carbamic acid (PubChem CID 90107316) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-azaspiro[3.3]heptan-6-yl-(6-fluoroquinolin-2-yl)carbamic acid.

Molecular Properties

Compound Name2-azaspiro[3.3]heptan-6-yl-(6-fluoroquinolin-2-yl)carbamic acid
PubChem CID90107316
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name2-azaspiro[3.3]heptan-6-yl-(6-fluoroquinolin-2-yl)carbamic acid
SMILESO=C(O)N(c1ccc2cc(F)ccc2n1)C1CC2(CNC2)C1
InChIInChI=1S/C16H16FN3O2/c17-11-2-3-13-10(5-11)1-4-14(19-13)20(15(21)22)12-6-16(7-12)8-18-9-16/h1-5,12,18H,6-9H2,(H,21,22)
InChIKeyFUCZCBFZYTZJNV-UHFFFAOYSA-N
XLogP2.61
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-methyl-N-phenylquinoline-2-carboxamide
CID 110464478
6-fluoro-2-(trifluoromethyl)quinoline
CID 11074775
(3-carbamoyl-1,2-oxazol-5-yl)methyl-[6-[5-(4-fluorophenyl)-2-pyridinyl]-6-azaspiro[3.4]octan-2-yl]carbamic acid;[7-(6-fluoroquinolin-2-yl)-7-azaspiro[3.5]nonan-2-yl]-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid
CID 161186156
3-(6-fluoroquinolin-2-yl)propanoic acid
CID 82242044
6-(6-fluoroquinolin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 164550234
1,4-diazepan-1-yl-(6-fluoroquinolin-2-yl)methanone
CID 110464458
2-[4-(6-fluoroquinolin-2-yl)piperazin-1-yl]acetic acid
CID 82166158
2-bromo-6-fluoroquinoline
CID 18729607
N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)adamantane-1-carboxamide
CID 43960448
(6-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 110464452
3-amino-1-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 107325189
[3-(6-fluoroquinolin-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-[[3-(methylcarbamoyl)-1,2-oxazol-5-yl]methyl]carbamic acid
CID 67607716

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[3.3]heptan-6-yl-(6-fluoroquinolin-2-yl)carbamic acid?
The IUPAC name of 2-azaspiro[3.3]heptan-6-yl-(6-fluoroquinolin-2-yl)carbamic acid (CID 90107316) is 2-azaspiro[3.3]heptan-6-yl-(6-fluoroquinolin-2-yl)carbamic acid.
What is the SMILES notation for 2-azaspiro[3.3]heptan-6-yl-(6-fluoroquinolin-2-yl)carbamic acid?
The canonical SMILES for 2-azaspiro[3.3]heptan-6-yl-(6-fluoroquinolin-2-yl)carbamic acid is O=C(O)N(c1ccc2cc(F)ccc2n1)C1CC2(CNC2)C1.
What is the InChIKey of 2-azaspiro[3.3]heptan-6-yl-(6-fluoroquinolin-2-yl)carbamic acid?
The InChIKey is FUCZCBFZYTZJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-11-2-3-13-10(5-11)1-4-14(19-13)20(15(21)22)12-6-16(7-12)8-18-9-16/h1-5,12,18H,6-9H2,(H,21,22).
What are the key properties of 2-azaspiro[3.3]heptan-6-yl-(6-fluoroquinolin-2-yl)carbamic acid?
2-azaspiro[3.3]heptan-6-yl-(6-fluoroquinolin-2-yl)carbamic acid has a molecular weight of 301.32 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[3.3]heptan-6-yl-(6-fluoroquinolin-2-yl)carbamic acid is sourced from PubChem (CID 90107316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).