1'-benzoyl-2'-(2-chlorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

C33H23ClN2O3 — CID 3719343

IUPAC1'-benzoyl-2'-(2-chlorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
SMILESO=C(c1ccccc1)C1C(C(=O)c2ccccc2Cl)C2(C(=O)Nc3ccccc32)C2C=Cc3ccccc3N12
InChIInChI=1S/C33H23ClN2O3/c34-24-15-7-5-13-22(24)31(38)28-29(30(37)21-11-2-1-3-12-21)36-26-17-9-4-10-20(26)18-19-27(36)33(28)23-14-6-8-16-25(23)35-32(33)39/h1-19,27-29H,(H,35,39)
InChIKeyARYQZBHOYKJLJC-UHFFFAOYSA-N
MW531.01 g/mol
LogP6.20
Rot. Bonds4

About 1'-benzoyl-2'-(2-chlorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

1'-benzoyl-2'-(2-chlorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one (PubChem CID 3719343) has the molecular formula C33H23ClN2O3 and a molecular weight of 531.01 g/mol. Its IUPAC name is 1'-benzoyl-2'-(2-chlorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one.

Molecular Properties

Compound Name1'-benzoyl-2'-(2-chlorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
PubChem CID3719343
Molecular FormulaC33H23ClN2O3
Molecular Weight531.01 g/mol
Exact Mass530.14
IUPAC Name1'-benzoyl-2'-(2-chlorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
SMILESO=C(c1ccccc1)C1C(C(=O)c2ccccc2Cl)C2(C(=O)Nc3ccccc32)C2C=Cc3ccccc3N12
InChIInChI=1S/C33H23ClN2O3/c34-24-15-7-5-13-22(24)31(38)28-29(30(37)21-11-2-1-3-12-21)36-26-17-9-4-10-20(26)18-19-27(36)33(28)23-14-6-8-16-25(23)35-32(33)39/h1-19,27-29H,(H,35,39)
InChIKeyARYQZBHOYKJLJC-UHFFFAOYSA-N
XLogP6.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.01
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1'S,2'R,3S,3'aR)-1'-benzoyl-2'-(2-chlorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 124788155
(1'S,2'R,3S,3'aR)-1',2'-bis(2-chlorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 124770316
(1'R,2'R,3R,3'aR)-1'-benzoyl-7'-chloro-2'-(2-chlorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 98378991
(1'S,2'R,3S,3'aR)-1'-(2-chlorobenzoyl)-2'-(4-chlorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 98693276
(1'S,2'R,3R,3'aR)-1'-benzoyl-2'-(2-fluorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 93116514
(1'S,2'R,3R,3'aR)-1'-(2-chlorobenzoyl)-2'-(pyridine-4-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 6588901
(1'S,2'R,3S,3'aS)-2'-(2-chlorobenzoyl)-1'-(thiophene-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 100822310
(1'R,2'S,3S,3'aS)-1'-(2-chlorobenzoyl)-2'-(4-propylbenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 124770215
(1'R,2'S,3S,3'aS)-1'-(2-chlorobenzoyl)-2'-(3-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 124770292
(1'R,2'R,3S,3'aR)-1'-(2-chlorobenzoyl)-2'-(3-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 2068965
1'-(2-chlorobenzoyl)-2'-(3-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 4979095
(1'R,2'S,3S,3'aR)-1'-(2-chlorobenzoyl)-2'-(3-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 98381776

Frequently Asked Questions

What is the IUPAC name of 1'-benzoyl-2'-(2-chlorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?
The IUPAC name of 1'-benzoyl-2'-(2-chlorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one (CID 3719343) is 1'-benzoyl-2'-(2-chlorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one.
What is the SMILES notation for 1'-benzoyl-2'-(2-chlorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?
The canonical SMILES for 1'-benzoyl-2'-(2-chlorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one is O=C(c1ccccc1)C1C(C(=O)c2ccccc2Cl)C2(C(=O)Nc3ccccc32)C2C=Cc3ccccc3N12.
What is the InChIKey of 1'-benzoyl-2'-(2-chlorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?
The InChIKey is ARYQZBHOYKJLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23ClN2O3/c34-24-15-7-5-13-22(24)31(38)28-29(30(37)21-11-2-1-3-12-21)36-26-17-9-4-10-20(26)18-19-27(36)33(28)23-14-6-8-16-25(23)35-32(33)39/h1-19,27-29H,(H,35,39).
What are the key properties of 1'-benzoyl-2'-(2-chlorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?
1'-benzoyl-2'-(2-chlorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one has a molecular weight of 531.01 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzoyl-2'-(2-chlorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one is sourced from PubChem (CID 3719343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).