2-[2-[6-(azetidin-1-yl)-1,2-dihydropyridin-3-yl]-6-fluoro-7-methoxyquinolin-4-yl]-2,9-diazaspiro[4.5]decane

C26H32FN5O — CID 177173191

IUPAC2-[2-[6-(azetidin-1-yl)-1,2-dihydropyridin-3-yl]-6-fluoro-7-methoxyquinolin-4-yl]-2,9-diazaspiro[4.5]decane
SMILESCOc1cc2nc(C3=CC=C(N4CCC4)NC3)cc(N3CCC4(CCCNC4)C3)c2cc1F
InChIInChI=1S/C26H32FN5O/c1-33-24-14-22-19(12-20(24)27)23(32-11-7-26(17-32)6-2-8-28-16-26)13-21(30-22)18-4-5-25(29-15-18)31-9-3-10-31/h4-5,12-14,28-29H,2-3,6-11,15-17H2,1H3
InChIKeyVGKXRJQUFTVYQE-UHFFFAOYSA-N
MW449.57 g/mol
LogP3.50
Rot. Bonds4

About 2-[2-[6-(azetidin-1-yl)-1,2-dihydropyridin-3-yl]-6-fluoro-7-methoxyquinolin-4-yl]-2,9-diazaspiro[4.5]decane

2-[2-[6-(azetidin-1-yl)-1,2-dihydropyridin-3-yl]-6-fluoro-7-methoxyquinolin-4-yl]-2,9-diazaspiro[4.5]decane (PubChem CID 177173191) has the molecular formula C26H32FN5O and a molecular weight of 449.57 g/mol. Its IUPAC name is 2-[2-[6-(azetidin-1-yl)-1,2-dihydropyridin-3-yl]-6-fluoro-7-methoxyquinolin-4-yl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[2-[6-(azetidin-1-yl)-1,2-dihydropyridin-3-yl]-6-fluoro-7-methoxyquinolin-4-yl]-2,9-diazaspiro[4.5]decane
PubChem CID177173191
Molecular FormulaC26H32FN5O
Molecular Weight449.57 g/mol
Exact Mass449.26
IUPAC Name2-[2-[6-(azetidin-1-yl)-1,2-dihydropyridin-3-yl]-6-fluoro-7-methoxyquinolin-4-yl]-2,9-diazaspiro[4.5]decane
SMILESCOc1cc2nc(C3=CC=C(N4CCC4)NC3)cc(N3CCC4(CCCNC4)C3)c2cc1F
InChIInChI=1S/C26H32FN5O/c1-33-24-14-22-19(12-20(24)27)23(32-11-7-26(17-32)6-2-8-28-16-26)13-21(30-22)18-4-5-25(29-15-18)31-9-3-10-31/h4-5,12-14,28-29H,2-3,6-11,15-17H2,1H3
InChIKeyVGKXRJQUFTVYQE-UHFFFAOYSA-N
XLogP3.50
TPSA52.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-[6-(azetidin-1-yl)-1,2-dihydropyridin-3-yl]-6-fluoro-7-methoxyquinolin-4-yl]-2,9-diazaspiro[4.5]decane with MolForge

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Related Compounds

2-[4-[3-[6-fluoro-4-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-methoxyquinolin-2-yl]-1,2-dihydropyridin-6-yl]piperazin-1-yl]ethanol
CID 177173267
7-[2-[6-(azetidin-1-yl)-3-pyridinyl]-6-fluoro-7-methoxyquinolin-4-yl]-3-methyl-2λ6-thia-3,7-diazaspiro[4.4]nonane 2,2-dioxide
CID 177173104
2-[4-[4-(2,2-dioxo-2λ6-thia-7-azaspiro[3.4]octan-7-yl)-6-fluoro-7-methoxyquinolin-2-yl]phenoxy]-N,N-dimethylethanamine
CID 177173101
8-(6-fluoro-7-methoxyquinolin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decane
CID 157040955
4-(2,8-diazaspiro[4.5]decan-8-yl)-6-fluoro-7-methoxyquinoline-3-carbonitrile;ethane
CID 157041023
(5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 95222078
(5S)-2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 95227016
[4-(2,9-diazaspiro[4.5]decan-2-yl)-6-methylpyrimidin-2-yl]methanol
CID 166266789
[1-[2-[6-(azetidin-1-yl)-3-pyridinyl]-6-fluoro-7-methoxyquinolin-4-yl]pyrrolidin-3-yl]methanol
CID 177174104
[1-[2-[2-(azetidin-1-yl)-1,3-thiazol-5-yl]-6-fluoro-7-methoxyquinolin-4-yl]pyrrolidin-3-yl]methanol
CID 177174075
tert-butyl 8-(6-fluoro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 157041209
2-[6-(azetidin-1-yl)-3-pyridinyl]-4-chloro-6-fluoro-7-methoxyquinoline
CID 177172502

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(azetidin-1-yl)-1,2-dihydropyridin-3-yl]-6-fluoro-7-methoxyquinolin-4-yl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-[2-[6-(azetidin-1-yl)-1,2-dihydropyridin-3-yl]-6-fluoro-7-methoxyquinolin-4-yl]-2,9-diazaspiro[4.5]decane (CID 177173191) is 2-[2-[6-(azetidin-1-yl)-1,2-dihydropyridin-3-yl]-6-fluoro-7-methoxyquinolin-4-yl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[2-[6-(azetidin-1-yl)-1,2-dihydropyridin-3-yl]-6-fluoro-7-methoxyquinolin-4-yl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-[2-[6-(azetidin-1-yl)-1,2-dihydropyridin-3-yl]-6-fluoro-7-methoxyquinolin-4-yl]-2,9-diazaspiro[4.5]decane is COc1cc2nc(C3=CC=C(N4CCC4)NC3)cc(N3CCC4(CCCNC4)C3)c2cc1F.
What is the InChIKey of 2-[2-[6-(azetidin-1-yl)-1,2-dihydropyridin-3-yl]-6-fluoro-7-methoxyquinolin-4-yl]-2,9-diazaspiro[4.5]decane?
The InChIKey is VGKXRJQUFTVYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O/c1-33-24-14-22-19(12-20(24)27)23(32-11-7-26(17-32)6-2-8-28-16-26)13-21(30-22)18-4-5-25(29-15-18)31-9-3-10-31/h4-5,12-14,28-29H,2-3,6-11,15-17H2,1H3.
What are the key properties of 2-[2-[6-(azetidin-1-yl)-1,2-dihydropyridin-3-yl]-6-fluoro-7-methoxyquinolin-4-yl]-2,9-diazaspiro[4.5]decane?
2-[2-[6-(azetidin-1-yl)-1,2-dihydropyridin-3-yl]-6-fluoro-7-methoxyquinolin-4-yl]-2,9-diazaspiro[4.5]decane has a molecular weight of 449.57 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(azetidin-1-yl)-1,2-dihydropyridin-3-yl]-6-fluoro-7-methoxyquinolin-4-yl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 177173191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).