(5S)-2-(3-fluorophenyl)-7-(quinoline-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one

C23H20FN3O2 — CID 97398981

IUPAC(5S)-2-(3-fluorophenyl)-7-(quinoline-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C(c1cnc2ccccc2c1)N1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1
InChIInChI=1S/C23H20FN3O2/c24-18-5-3-6-19(11-18)27-15-23(12-21(27)28)8-9-26(14-23)22(29)17-10-16-4-1-2-7-20(16)25-13-17/h1-7,10-11,13H,8-9,12,14-15H2/t23-/m0/s1
InChIKeyOYMMASUASUFYNJ-QHCPKHFHSA-N
MW389.43 g/mol
LogP3.64
Rot. Bonds2

About (5S)-2-(3-fluorophenyl)-7-(quinoline-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one

(5S)-2-(3-fluorophenyl)-7-(quinoline-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 97398981) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is (5S)-2-(3-fluorophenyl)-7-(quinoline-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name(5S)-2-(3-fluorophenyl)-7-(quinoline-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID97398981
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name(5S)-2-(3-fluorophenyl)-7-(quinoline-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C(c1cnc2ccccc2c1)N1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1
InChIInChI=1S/C23H20FN3O2/c24-18-5-3-6-19(11-18)27-15-23(12-21(27)28)8-9-26(14-23)22(29)17-10-16-4-1-2-7-20(16)25-13-17/h1-7,10-11,13H,8-9,12,14-15H2/t23-/m0/s1
InChIKeyOYMMASUASUFYNJ-QHCPKHFHSA-N
XLogP3.64
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-7-(furan-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131642152
9-(3-fluorophenyl)-2-(2-methylpyrimidine-5-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 155986120
6-methyl-9-phenyl-2-(quinoline-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 131641720
7-(2-fluoropyridine-4-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 131679795
(5R)-9-(3-fluorophenyl)-6-methyl-2-(naphthalene-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373560
4-(3-fluorophenyl)-10-(6-methylpyridine-3-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986326
2-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131660592
[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-quinolin-3-ylmethanone
CID 56890746
[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone
CID 45200874
(5R)-7-(furan-3-carbonyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 97374104
4-(3-fluorophenyl)-9-(4-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985951
(5R)-2-(3-fluorophenyl)-7-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 97373990

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(3-fluorophenyl)-7-(quinoline-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of (5S)-2-(3-fluorophenyl)-7-(quinoline-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one (CID 97398981) is (5S)-2-(3-fluorophenyl)-7-(quinoline-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for (5S)-2-(3-fluorophenyl)-7-(quinoline-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for (5S)-2-(3-fluorophenyl)-7-(quinoline-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one is O=C(c1cnc2ccccc2c1)N1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1.
What is the InChIKey of (5S)-2-(3-fluorophenyl)-7-(quinoline-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is OYMMASUASUFYNJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H20FN3O2/c24-18-5-3-6-19(11-18)27-15-23(12-21(27)28)8-9-26(14-23)22(29)17-10-16-4-1-2-7-20(16)25-13-17/h1-7,10-11,13H,8-9,12,14-15H2/t23-/m0/s1.
What are the key properties of (5S)-2-(3-fluorophenyl)-7-(quinoline-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one?
(5S)-2-(3-fluorophenyl)-7-(quinoline-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 389.43 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(3-fluorophenyl)-7-(quinoline-3-carbonyl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 97398981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).