4-(2,8-diazaspiro[4.5]decan-8-yl)-6-fluoro-7-methoxyquinoline-3-carbonitrile;ethane

C21H27FN4O — CID 157041023

IUPAC4-(2,8-diazaspiro[4.5]decan-8-yl)-6-fluoro-7-methoxyquinoline-3-carbonitrile;ethane
SMILESCC.COc1cc2ncc(C#N)c(N3CCC4(CCNC4)CC3)c2cc1F
InChIInChI=1S/C19H21FN4O.C2H6/c1-25-17-9-16-14(8-15(17)20)18(13(10-21)11-23-16)24-6-3-19(4-7-24)2-5-22-12-19;1-2/h8-9,11,22H,2-7,12H2,1H3;1-2H3
InChIKeyVYASFNRNPJCYHP-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.86
Rot. Bonds2

About 4-(2,8-diazaspiro[4.5]decan-8-yl)-6-fluoro-7-methoxyquinoline-3-carbonitrile;ethane

4-(2,8-diazaspiro[4.5]decan-8-yl)-6-fluoro-7-methoxyquinoline-3-carbonitrile;ethane (PubChem CID 157041023) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is 4-(2,8-diazaspiro[4.5]decan-8-yl)-6-fluoro-7-methoxyquinoline-3-carbonitrile;ethane.

Molecular Properties

Compound Name4-(2,8-diazaspiro[4.5]decan-8-yl)-6-fluoro-7-methoxyquinoline-3-carbonitrile;ethane
PubChem CID157041023
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC Name4-(2,8-diazaspiro[4.5]decan-8-yl)-6-fluoro-7-methoxyquinoline-3-carbonitrile;ethane
SMILESCC.COc1cc2ncc(C#N)c(N3CCC4(CCNC4)CC3)c2cc1F
InChIInChI=1S/C19H21FN4O.C2H6/c1-25-17-9-16-14(8-15(17)20)18(13(10-21)11-23-16)24-6-3-19(4-7-24)2-5-22-12-19;1-2/h8-9,11,22H,2-7,12H2,1H3;1-2H3
InChIKeyVYASFNRNPJCYHP-UHFFFAOYSA-N
XLogP3.86
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2,8-diazaspiro[4.5]decan-8-yl)-6-fluoro-7-methoxyquinoline-3-carbonitrile;ethane with MolForge

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Related Compounds

4-(2,7-diazaspiro[3.4]octan-2-yl)-8-methoxyquinoline-3-carbonitrile
CID 157040896
7-fluoro-6-methoxy-4-methylquinoline-3-carbonitrile
CID 59849538
[1-(3-cyano-6,7-dimethoxyquinolin-4-yl)pyrrolidin-3-yl] formate
CID 143371135
2-[1-(3-cyano-6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl dihydrogen phosphite
CID 167505895
4-[4-(2-aminoacetyl)-1,4-diazepan-1-yl]-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 156823976
6-[(1R)-2-(2,8-diazaspiro[4.5]decan-8-yl)-1-hydroxyethyl]-4-methylpyridine-3-carbonitrile
CID 130466183
4-(dimethylamino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 11666049
disodium;6,7-dimethoxy-4-[4-(phosphonatomethyl)azepan-1-yl]quinoline-3-carbonitrile
CID 163399385
(5S)-7-(7-fluoro-3-iodo-6-methoxyquinolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 100672155
6,8-difluoro-4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]quinoline-3-carbonitrile
CID 75399482
8-(6-fluoro-7-methoxyquinolin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decane
CID 157040955
1-(3-cyano-6-fluoroquinolin-4-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
CID 53113706

Frequently Asked Questions

What is the IUPAC name of 4-(2,8-diazaspiro[4.5]decan-8-yl)-6-fluoro-7-methoxyquinoline-3-carbonitrile;ethane?
The IUPAC name of 4-(2,8-diazaspiro[4.5]decan-8-yl)-6-fluoro-7-methoxyquinoline-3-carbonitrile;ethane (CID 157041023) is 4-(2,8-diazaspiro[4.5]decan-8-yl)-6-fluoro-7-methoxyquinoline-3-carbonitrile;ethane.
What is the SMILES notation for 4-(2,8-diazaspiro[4.5]decan-8-yl)-6-fluoro-7-methoxyquinoline-3-carbonitrile;ethane?
The canonical SMILES for 4-(2,8-diazaspiro[4.5]decan-8-yl)-6-fluoro-7-methoxyquinoline-3-carbonitrile;ethane is CC.COc1cc2ncc(C#N)c(N3CCC4(CCNC4)CC3)c2cc1F.
What is the InChIKey of 4-(2,8-diazaspiro[4.5]decan-8-yl)-6-fluoro-7-methoxyquinoline-3-carbonitrile;ethane?
The InChIKey is VYASFNRNPJCYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O.C2H6/c1-25-17-9-16-14(8-15(17)20)18(13(10-21)11-23-16)24-6-3-19(4-7-24)2-5-22-12-19;1-2/h8-9,11,22H,2-7,12H2,1H3;1-2H3.
What are the key properties of 4-(2,8-diazaspiro[4.5]decan-8-yl)-6-fluoro-7-methoxyquinoline-3-carbonitrile;ethane?
4-(2,8-diazaspiro[4.5]decan-8-yl)-6-fluoro-7-methoxyquinoline-3-carbonitrile;ethane has a molecular weight of 370.47 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,8-diazaspiro[4.5]decan-8-yl)-6-fluoro-7-methoxyquinoline-3-carbonitrile;ethane is sourced from PubChem (CID 157041023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).