7'-chloro-1'-(2,2-dimethylpropanoyl)-2'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

C31H26ClFN2O3 — CID 3699043

IUPAC7'-chloro-1'-(2,2-dimethylpropanoyl)-2'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
SMILESCC(C)(C)C(=O)C1C(C(=O)c2ccc(F)cc2)C2(C(=O)Nc3ccccc32)C2C=Cc3cc(Cl)ccc3N12
InChIInChI=1S/C31H26ClFN2O3/c1-30(2,3)28(37)26-25(27(36)17-8-12-20(33)13-9-17)31(21-6-4-5-7-22(21)34-29(31)38)24-15-10-18-16-19(32)11-14-23(18)35(24)26/h4-16,24-26H,1-3H3,(H,34,38)
InChIKeyFFFLNPZJGHOYDF-UHFFFAOYSA-N
MW529.01 g/mol
LogP6.07
Rot. Bonds3

About 7'-chloro-1'-(2,2-dimethylpropanoyl)-2'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

7'-chloro-1'-(2,2-dimethylpropanoyl)-2'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one (PubChem CID 3699043) has the molecular formula C31H26ClFN2O3 and a molecular weight of 529.01 g/mol. Its IUPAC name is 7'-chloro-1'-(2,2-dimethylpropanoyl)-2'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one.

Molecular Properties

Compound Name7'-chloro-1'-(2,2-dimethylpropanoyl)-2'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
PubChem CID3699043
Molecular FormulaC31H26ClFN2O3
Molecular Weight529.01 g/mol
Exact Mass528.16
IUPAC Name7'-chloro-1'-(2,2-dimethylpropanoyl)-2'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
SMILESCC(C)(C)C(=O)C1C(C(=O)c2ccc(F)cc2)C2(C(=O)Nc3ccccc32)C2C=Cc3cc(Cl)ccc3N12
InChIInChI=1S/C31H26ClFN2O3/c1-30(2,3)28(37)26-25(27(36)17-8-12-20(33)13-9-17)31(21-6-4-5-7-22(21)34-29(31)38)24-15-10-18-16-19(32)11-14-23(18)35(24)26/h4-16,24-26H,1-3H3,(H,34,38)
InChIKeyFFFLNPZJGHOYDF-UHFFFAOYSA-N
XLogP6.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.01
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7'-chloro-1'-(2,2-dimethylpropanoyl)-2'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1'S,2'R,3S,3'aR)-2'-benzoyl-7'-chloro-1'-(2,2-dimethylpropanoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 124773832
(1'R,2'S,3R,3'aR)-7'-chloro-2'-(2-chlorobenzoyl)-1'-(2,2-dimethylpropanoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 98453299
(1'R,2'S,3R,3'aR)-1'-acetyl-2'-(4-chlorobenzoyl)-7'-fluorospiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 40937193
(1'S,2'R,3R,3'aS)-7'-chloro-2'-(4-fluorobenzoyl)-1'-(thiophene-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 98326961
7'-chloro-2'-(4-fluorobenzoyl)-1'-(thiophene-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 4872246
(1'S,2'R,3S,3'aS)-1'-acetyl-7'-fluoro-2'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 100819247
(1'S,2'R,3S,3'aR)-2'-benzoyl-1'-(2,2-dimethylpropanoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 124825268
(1'R,2'S,3S,3'aR)-1'-(4-chlorobenzoyl)-7'-methyl-2'-(4-methylbenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 98326696
(1'S,2'S,3R,3'aS)-2'-(2-chlorobenzoyl)-1'-(2,2-dimethylpropanoyl)-7'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 100880336
(1'S,2'S,3S,3'aR)-2'-benzoyl-1'-(4-bromobenzoyl)-7'-chlorospiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 98165886
(1'R,2'R,3R,3'aR)-2'-(4-bromobenzoyl)-1'-(2,2-dimethylpropanoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 98165759
1'-(2,2-dimethylpropanoyl)-7'-methyl-2'-(4-pentylbenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 4976937

Frequently Asked Questions

What is the IUPAC name of 7'-chloro-1'-(2,2-dimethylpropanoyl)-2'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?
The IUPAC name of 7'-chloro-1'-(2,2-dimethylpropanoyl)-2'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one (CID 3699043) is 7'-chloro-1'-(2,2-dimethylpropanoyl)-2'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one.
What is the SMILES notation for 7'-chloro-1'-(2,2-dimethylpropanoyl)-2'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?
The canonical SMILES for 7'-chloro-1'-(2,2-dimethylpropanoyl)-2'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one is CC(C)(C)C(=O)C1C(C(=O)c2ccc(F)cc2)C2(C(=O)Nc3ccccc32)C2C=Cc3cc(Cl)ccc3N12.
What is the InChIKey of 7'-chloro-1'-(2,2-dimethylpropanoyl)-2'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?
The InChIKey is FFFLNPZJGHOYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26ClFN2O3/c1-30(2,3)28(37)26-25(27(36)17-8-12-20(33)13-9-17)31(21-6-4-5-7-22(21)34-29(31)38)24-15-10-18-16-19(32)11-14-23(18)35(24)26/h4-16,24-26H,1-3H3,(H,34,38).
What are the key properties of 7'-chloro-1'-(2,2-dimethylpropanoyl)-2'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?
7'-chloro-1'-(2,2-dimethylpropanoyl)-2'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one has a molecular weight of 529.01 g/mol, XLogP of 6.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-chloro-1'-(2,2-dimethylpropanoyl)-2'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one is sourced from PubChem (CID 3699043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).