1'-(4-chloro-1-hydroxynaphthalene-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C22H17ClN2O3 — CID 167896087

IUPAC1'-(4-chloro-1-hydroxynaphthalene-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(c1cc(Cl)c2ccccc2c1O)N1CCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C22H17ClN2O3/c23-17-11-15(19(26)14-6-2-1-5-13(14)17)20(27)25-10-9-22(12-25)16-7-3-4-8-18(16)24-21(22)28/h1-8,11,26H,9-10,12H2,(H,24,28)
InChIKeyATRHUOOLBVLIDX-UHFFFAOYSA-N
MW392.84 g/mol
LogP3.93
Rot. Bonds1

About 1'-(4-chloro-1-hydroxynaphthalene-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-(4-chloro-1-hydroxynaphthalene-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 167896087) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is 1'-(4-chloro-1-hydroxynaphthalene-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(4-chloro-1-hydroxynaphthalene-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID167896087
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC Name1'-(4-chloro-1-hydroxynaphthalene-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(c1cc(Cl)c2ccccc2c1O)N1CCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C22H17ClN2O3/c23-17-11-15(19(26)14-6-2-1-5-13(14)17)20(27)25-10-9-22(12-25)16-7-3-4-8-18(16)24-21(22)28/h1-8,11,26H,9-10,12H2,(H,24,28)
InChIKeyATRHUOOLBVLIDX-UHFFFAOYSA-N
XLogP3.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(4-methylnaphthalene-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 155956164
1'-(3-chlorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176932
2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
CID 154879377
1'-(2-chloro-4-fluorobenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 56904113
1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176926
(3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103577
(3R)-1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103581
1'-(2,4-dimethoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176938
1'-(6,7,8,9-tetrahydro-5H-carbazole-1-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 154840539
1'-(2-ethyl-6-oxo-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 162633325
1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 56892371
1'-(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 155950448

Frequently Asked Questions

What is the IUPAC name of 1'-(4-chloro-1-hydroxynaphthalene-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(4-chloro-1-hydroxynaphthalene-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 167896087) is 1'-(4-chloro-1-hydroxynaphthalene-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(4-chloro-1-hydroxynaphthalene-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(4-chloro-1-hydroxynaphthalene-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C(c1cc(Cl)c2ccccc2c1O)N1CCC2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-(4-chloro-1-hydroxynaphthalene-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is ATRHUOOLBVLIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c23-17-11-15(19(26)14-6-2-1-5-13(14)17)20(27)25-10-9-22(12-25)16-7-3-4-8-18(16)24-21(22)28/h1-8,11,26H,9-10,12H2,(H,24,28).
What are the key properties of 1'-(4-chloro-1-hydroxynaphthalene-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-(4-chloro-1-hydroxynaphthalene-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 392.84 g/mol, XLogP of 3.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-chloro-1-hydroxynaphthalene-2-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 167896087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).