6-amino-2-(7-fluoro-2-methylquinoline-3-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one

C21H22FN3O2 — CID 162441983

IUPAC6-amino-2-(7-fluoro-2-methylquinoline-3-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
SMILESCc1nc2cc(F)ccc2cc1C(=O)N1CC2(C=C(N)C(=O)C(C)(C)C2)C1
InChIInChI=1S/C21H22FN3O2/c1-12-15(6-13-4-5-14(22)7-17(13)24-12)19(27)25-10-21(11-25)8-16(23)18(26)20(2,3)9-21/h4-8H,9-11,23H2,1-3H3
InChIKeyGBFQYFIZBSIGME-UHFFFAOYSA-N
MW367.42 g/mol
LogP2.97
Rot. Bonds1

About 6-amino-2-(7-fluoro-2-methylquinoline-3-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one

6-amino-2-(7-fluoro-2-methylquinoline-3-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one (PubChem CID 162441983) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 6-amino-2-(7-fluoro-2-methylquinoline-3-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one.

Molecular Properties

Compound Name6-amino-2-(7-fluoro-2-methylquinoline-3-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
PubChem CID162441983
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name6-amino-2-(7-fluoro-2-methylquinoline-3-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
SMILESCc1nc2cc(F)ccc2cc1C(=O)N1CC2(C=C(N)C(=O)C(C)(C)C2)C1
InChIInChI=1S/C21H22FN3O2/c1-12-15(6-13-4-5-14(22)7-17(13)24-12)19(27)25-10-21(11-25)8-16(23)18(26)20(2,3)9-21/h4-8H,9-11,23H2,1-3H3
InChIKeyGBFQYFIZBSIGME-UHFFFAOYSA-N
XLogP2.97
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-amino-2-(7-fluoro-2-methylquinoline-3-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one with MolForge

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Related Compounds

(5R)-7-amino-2-(2,4-difluorobenzoyl)-9,9-dimethyl-2-azaspiro[4.5]dec-6-en-8-one
CID 162442117
6-amino-8,8-dimethyl-2-(2-oxochromene-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one
CID 166946107
(7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 78838342
ethyl 4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazine-1-carboxylate
CID 46808248
6-amino-8,8-dimethyl-2-[3-(trifluoromethyl)pyridine-4-carbonyl]-2-azaspiro[3.5]non-5-en-7-one
CID 162441774
6-amino-2-[2-(2,2-difluoroethyl)benzoyl]-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
CID 166945829
6-amino-2-(4-fluoro-3-methoxybenzoyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one
CID 166945780
6-amino-8,8-dimethyl-2-(pyrazolo[1,5-b]pyridazine-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one
CID 162442437
6-amino-8,8-dimethyl-2-[5-(trifluoromethyl)furan-2-carbonyl]-2-azaspiro[3.5]non-5-en-7-one
CID 166945788
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(7-fluoro-2-methylquinolin-3-yl)methanone;dihydrochloride
CID 120741762
[4-(7-fluoro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone
CID 46456266
(2,4-dimethylpiperazin-1-yl)-(7-fluoro-2-methylquinolin-3-yl)methanone
CID 71877137

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(7-fluoro-2-methylquinoline-3-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one?
The IUPAC name of 6-amino-2-(7-fluoro-2-methylquinoline-3-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one (CID 162441983) is 6-amino-2-(7-fluoro-2-methylquinoline-3-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one.
What is the SMILES notation for 6-amino-2-(7-fluoro-2-methylquinoline-3-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one?
The canonical SMILES for 6-amino-2-(7-fluoro-2-methylquinoline-3-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one is Cc1nc2cc(F)ccc2cc1C(=O)N1CC2(C=C(N)C(=O)C(C)(C)C2)C1.
What is the InChIKey of 6-amino-2-(7-fluoro-2-methylquinoline-3-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one?
The InChIKey is GBFQYFIZBSIGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-12-15(6-13-4-5-14(22)7-17(13)24-12)19(27)25-10-21(11-25)8-16(23)18(26)20(2,3)9-21/h4-8H,9-11,23H2,1-3H3.
What are the key properties of 6-amino-2-(7-fluoro-2-methylquinoline-3-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one?
6-amino-2-(7-fluoro-2-methylquinoline-3-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one has a molecular weight of 367.42 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(7-fluoro-2-methylquinoline-3-carbonyl)-8,8-dimethyl-2-azaspiro[3.5]non-5-en-7-one is sourced from PubChem (CID 162441983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).