(4R)-4-(morpholine-4-carbonyl)-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-1-one

C24H26N2O3 — CID 51721184

IUPAC(4R)-4-(morpholine-4-carbonyl)-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-1-one
SMILESO=C([C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2)N1CCOCC1
InChIInChI=1S/C24H26N2O3/c27-22-20-11-5-4-10-19(20)21(23(28)25-14-16-29-17-15-25)24(12-6-7-13-24)26(22)18-8-2-1-3-9-18/h1-5,8-11,21H,6-7,12-17H2/t21-/m0/s1
InChIKeyYSPSNNSJIZEGTR-NRFANRHFSA-N
MW390.48 g/mol
LogP3.60
Rot. Bonds2

About (4R)-4-(morpholine-4-carbonyl)-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-1-one

(4R)-4-(morpholine-4-carbonyl)-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-1-one (PubChem CID 51721184) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is (4R)-4-(morpholine-4-carbonyl)-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-1-one.

Molecular Properties

Compound Name(4R)-4-(morpholine-4-carbonyl)-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-1-one
PubChem CID51721184
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name(4R)-4-(morpholine-4-carbonyl)-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-1-one
SMILESO=C([C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2)N1CCOCC1
InChIInChI=1S/C24H26N2O3/c27-22-20-11-5-4-10-19(20)21(23(28)25-14-16-29-17-15-25)24(12-6-7-13-24)26(22)18-8-2-1-3-9-18/h1-5,8-11,21H,6-7,12-17H2/t21-/m0/s1
InChIKeyYSPSNNSJIZEGTR-NRFANRHFSA-N
XLogP3.60
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2-(2-fluorophenyl)-4-(morpholine-4-carbonyl)spiro[4H-isoquinoline-3,1'-cyclohexane]-1-one
CID 51720472
(4R)-2-[(2R)-butan-2-yl]-4-(morpholine-4-carbonyl)spiro[4H-isoquinoline-3,1'-cyclopentane]-1-one
CID 95388684
2-(2-fluorophenyl)-4-(pyrrolidine-1-carbonyl)spiro[4H-isoquinoline-3,1'-cyclohexane]-1-one
CID 45496169
(4R)-N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 51718203
N-(2-methylpropyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
CID 42653199
N-(3-methylbutyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 45495444
N-(2-methoxyethyl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 45493765
(4R)-1-oxo-2-phenyl-N-(pyridin-3-ylmethyl)spiro[4H-isoquinoline-3,1'-cyclopentane]-4-carboxamide
CID 51721969
1-oxo-2-phenyl-N-(pyridin-4-ylmethyl)spiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
CID 42652431
(4S)-1-oxo-2-phenyl-N-(1,3-thiazol-2-yl)spiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
CID 29133313
N-(4-methyl-1,3-thiazol-2-yl)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carboxamide
CID 42652827
(10S,10aS)-10a-benzyl-10-(4-phenylpiperazine-1-carbonyl)-3,10-dihydro-2H-[1,3]oxazolo[3,2-b]isoquinolin-5-one
CID 101447216

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(morpholine-4-carbonyl)-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-1-one?
The IUPAC name of (4R)-4-(morpholine-4-carbonyl)-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-1-one (CID 51721184) is (4R)-4-(morpholine-4-carbonyl)-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-1-one.
What is the SMILES notation for (4R)-4-(morpholine-4-carbonyl)-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-1-one?
The canonical SMILES for (4R)-4-(morpholine-4-carbonyl)-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-1-one is O=C([C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2)N1CCOCC1.
What is the InChIKey of (4R)-4-(morpholine-4-carbonyl)-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-1-one?
The InChIKey is YSPSNNSJIZEGTR-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26N2O3/c27-22-20-11-5-4-10-19(20)21(23(28)25-14-16-29-17-15-25)24(12-6-7-13-24)26(22)18-8-2-1-3-9-18/h1-5,8-11,21H,6-7,12-17H2/t21-/m0/s1.
What are the key properties of (4R)-4-(morpholine-4-carbonyl)-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-1-one?
(4R)-4-(morpholine-4-carbonyl)-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-1-one has a molecular weight of 390.48 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(morpholine-4-carbonyl)-2-phenylspiro[4H-isoquinoline-3,1'-cyclopentane]-1-one is sourced from PubChem (CID 51721184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).