9-[(2,6-difluoro-4-quinolin-7-ylphenyl)methyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione

C26H25F2N3O3 — CID 71550036

IUPAC9-[(2,6-difluoro-4-quinolin-7-ylphenyl)methyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione
SMILESCCN1CC2(CCN(Cc3c(F)cc(-c4ccc5cccnc5c4)cc3F)C(=O)C2)OCC1=O
InChIInChI=1S/C26H25F2N3O3/c1-2-30-16-26(34-15-25(30)33)7-9-31(24(32)13-26)14-20-21(27)10-19(11-22(20)28)18-6-5-17-4-3-8-29-23(17)12-18/h3-6,8,10-12H,2,7,9,13-16H2,1H3
InChIKeyFYJSACAHVAPSPD-UHFFFAOYSA-N
MW465.50 g/mol
LogP3.92
Rot. Bonds4

About 9-[(2,6-difluoro-4-quinolin-7-ylphenyl)methyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione

9-[(2,6-difluoro-4-quinolin-7-ylphenyl)methyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione (PubChem CID 71550036) has the molecular formula C26H25F2N3O3 and a molecular weight of 465.50 g/mol. Its IUPAC name is 9-[(2,6-difluoro-4-quinolin-7-ylphenyl)methyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione.

Molecular Properties

Compound Name9-[(2,6-difluoro-4-quinolin-7-ylphenyl)methyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione
PubChem CID71550036
Molecular FormulaC26H25F2N3O3
Molecular Weight465.50 g/mol
Exact Mass465.19
IUPAC Name9-[(2,6-difluoro-4-quinolin-7-ylphenyl)methyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione
SMILESCCN1CC2(CCN(Cc3c(F)cc(-c4ccc5cccnc5c4)cc3F)C(=O)C2)OCC1=O
InChIInChI=1S/C26H25F2N3O3/c1-2-30-16-26(34-15-25(30)33)7-9-31(24(32)13-26)14-20-21(27)10-19(11-22(20)28)18-6-5-17-4-3-8-29-23(17)12-18/h3-6,8,10-12H,2,7,9,13-16H2,1H3
InChIKeyFYJSACAHVAPSPD-UHFFFAOYSA-N
XLogP3.92
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[4-[(4-cyclopropyl-3,10-dioxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methyl]-3,5-difluorophenyl]quinoline-3-carbonitrile
CID 71549898
9-[(2-fluoro-4-quinolin-7-ylphenyl)methyl]-4-(1-methylcyclopropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 72721091
9-[(2-fluoro-4-quinolin-7-ylphenyl)methyl]-4-[1-(methoxymethyl)cyclopropyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 72721699
4-cyclopropyl-9-[(2,3,6-trifluoro-4-quinolin-7-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 72706944
4-cyclopropyl-9-[(2-hydroxy-4-quinolin-7-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 72720578
4-cyclopropyl-9-[dideuterio-(2-fluoro-4-quinolin-7-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 72721907
9-[(4-bromo-2,6-difluorophenyl)methyl]-4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione
CID 89486709
3-(4-cyclopropyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-3-(4-quinolin-7-ylphenyl)propanoic acid
CID 71270755
4-cyclopropyl-9-[[2,6-difluoro-4-(6-fluoronaphthalen-2-yl)phenyl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 72721094
ethyl 6-quinolin-7-ylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate
CID 135125393
9-[[4-(3-chloroquinolin-7-yl)-2-fluorophenyl]methyl]-4-cyclopropyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 72720993
4-(2-fluoro-4-quinolin-7-ylphenyl)-3-[[(3S)-3-propanoylpyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-5-one
CID 67354055

Frequently Asked Questions

What is the IUPAC name of 9-[(2,6-difluoro-4-quinolin-7-ylphenyl)methyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione?
The IUPAC name of 9-[(2,6-difluoro-4-quinolin-7-ylphenyl)methyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione (CID 71550036) is 9-[(2,6-difluoro-4-quinolin-7-ylphenyl)methyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione.
What is the SMILES notation for 9-[(2,6-difluoro-4-quinolin-7-ylphenyl)methyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione?
The canonical SMILES for 9-[(2,6-difluoro-4-quinolin-7-ylphenyl)methyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione is CCN1CC2(CCN(Cc3c(F)cc(-c4ccc5cccnc5c4)cc3F)C(=O)C2)OCC1=O.
What is the InChIKey of 9-[(2,6-difluoro-4-quinolin-7-ylphenyl)methyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione?
The InChIKey is FYJSACAHVAPSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N3O3/c1-2-30-16-26(34-15-25(30)33)7-9-31(24(32)13-26)14-20-21(27)10-19(11-22(20)28)18-6-5-17-4-3-8-29-23(17)12-18/h3-6,8,10-12H,2,7,9,13-16H2,1H3.
What are the key properties of 9-[(2,6-difluoro-4-quinolin-7-ylphenyl)methyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione?
9-[(2,6-difluoro-4-quinolin-7-ylphenyl)methyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione has a molecular weight of 465.50 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,6-difluoro-4-quinolin-7-ylphenyl)methyl]-4-ethyl-1-oxa-4,9-diazaspiro[5.5]undecane-3,10-dione is sourced from PubChem (CID 71550036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).