N-[2-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide

C26H27FN4O2 — CID 50902786

IUPACN-[2-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide
SMILESO=C(NCCN1CCC2(CC1)C(=O)NC[C@@H]2c1ccc(F)cc1)c1cnc2ccccc2c1
InChIInChI=1S/C26H27FN4O2/c27-21-7-5-18(6-8-21)22-17-30-25(33)26(22)9-12-31(13-10-26)14-11-28-24(32)20-15-19-3-1-2-4-23(19)29-16-20/h1-8,15-16,22H,9-14,17H2,(H,28,32)(H,30,33)/t22-/m1/s1
InChIKeyBAHMBPJZGYBLIO-JOCHJYFZSA-N
MW446.53 g/mol
LogP3.10
Rot. Bonds5

About N-[2-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide

N-[2-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide (PubChem CID 50902786) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[2-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide
PubChem CID50902786
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC NameN-[2-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide
SMILESO=C(NCCN1CCC2(CC1)C(=O)NC[C@@H]2c1ccc(F)cc1)c1cnc2ccccc2c1
InChIInChI=1S/C26H27FN4O2/c27-21-7-5-18(6-8-21)22-17-30-25(33)26(22)9-12-31(13-10-26)14-11-28-24(32)20-15-19-3-1-2-4-23(19)29-16-20/h1-8,15-16,22H,9-14,17H2,(H,28,32)(H,30,33)/t22-/m1/s1
InChIKeyBAHMBPJZGYBLIO-JOCHJYFZSA-N
XLogP3.10
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Fluoro CUMYL-PICA
CID 117650397
Cabamiquine
CID 71748268
((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
Gsk 172981
CID 25195091
1-(6-Fluoro-3-(4-(methylsulfonyl)piperazine-1-carbonyl)quinolin-4-yl)-4-phenylpiperidine-4-carbonitrile
CID 134821685
Fumiquinazoline F
CID 10089772
2-fluoro-9-oxo-N-[2-(pyridin-3-yl)propan-2-yl]-9,10-dihydroacridine-3-carboxamide
CID 16748022
2-(2-Quinolin-3-ylpyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
CID 10389239
4-tert-butyl-N-(quinolin-3-yl)benzamide
CID 797382
Parvine
CID 320217
Fiscalin B
CID 10091548
Piperazine, 1-(1H-indol-3-yloxoacetyl)-4-phenyl-
CID 3054779

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide?
The IUPAC name of N-[2-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide (CID 50902786) is N-[2-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide.
What is the SMILES notation for N-[2-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide?
The canonical SMILES for N-[2-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide is O=C(NCCN1CCC2(CC1)C(=O)NC[C@@H]2c1ccc(F)cc1)c1cnc2ccccc2c1.
What is the InChIKey of N-[2-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide?
The InChIKey is BAHMBPJZGYBLIO-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H27FN4O2/c27-21-7-5-18(6-8-21)22-17-30-25(33)26(22)9-12-31(13-10-26)14-11-28-24(32)20-15-19-3-1-2-4-23(19)29-16-20/h1-8,15-16,22H,9-14,17H2,(H,28,32)(H,30,33)/t22-/m1/s1.
What are the key properties of N-[2-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide?
N-[2-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide is sourced from PubChem (CID 50902786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).