2'-(2-chlorobenzoyl)-1'-(2,2-dimethylpropanoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

C32H29ClN2O3 — CID 3992614

IUPAC2'-(2-chlorobenzoyl)-1'-(2,2-dimethylpropanoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
SMILESCC1=CC2N(c3ccccc31)C(C(=O)C(C)(C)C)C(C(=O)c1ccccc1Cl)C21C(=O)Nc2ccccc21
InChIInChI=1S/C32H29ClN2O3/c1-18-17-25-32(21-13-7-9-15-23(21)34-30(32)38)26(28(36)20-12-5-8-14-22(20)33)27(29(37)31(2,3)4)35(25)24-16-10-6-11-19(18)24/h5-17,25-27H,1-4H3,(H,34,38)
InChIKeyWRHSBJXEQMDBBO-UHFFFAOYSA-N
MW525.05 g/mol
LogP6.32
Rot. Bonds3

About 2'-(2-chlorobenzoyl)-1'-(2,2-dimethylpropanoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

2'-(2-chlorobenzoyl)-1'-(2,2-dimethylpropanoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one (PubChem CID 3992614) has the molecular formula C32H29ClN2O3 and a molecular weight of 525.05 g/mol. Its IUPAC name is 2'-(2-chlorobenzoyl)-1'-(2,2-dimethylpropanoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one.

Molecular Properties

Compound Name2'-(2-chlorobenzoyl)-1'-(2,2-dimethylpropanoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
PubChem CID3992614
Molecular FormulaC32H29ClN2O3
Molecular Weight525.05 g/mol
Exact Mass524.19
IUPAC Name2'-(2-chlorobenzoyl)-1'-(2,2-dimethylpropanoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
SMILESCC1=CC2N(c3ccccc31)C(C(=O)C(C)(C)C)C(C(=O)c1ccccc1Cl)C21C(=O)Nc2ccccc21
InChIInChI=1S/C32H29ClN2O3/c1-18-17-25-32(21-13-7-9-15-23(21)34-30(32)38)26(28(36)20-12-5-8-14-22(20)33)27(29(37)31(2,3)4)35(25)24-16-10-6-11-19(18)24/h5-17,25-27H,1-4H3,(H,34,38)
InChIKeyWRHSBJXEQMDBBO-UHFFFAOYSA-N
XLogP6.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.05
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2'-(2-chlorobenzoyl)-1'-(2,2-dimethylpropanoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one with MolForge

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Related Compounds

(1'R,2'S,3R,3'aR)-2'-benzoyl-1'-(2,2-dimethylpropanoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 40937830
(1'S,2'S,3R,3'aS)-1'-(2-chlorobenzoyl)-2'-(4-chlorobenzoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 124774830
(1'S,2'S,3R,3'aS)-2'-(4-bromobenzoyl)-1'-(2,2-dimethylpropanoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 124769951
1'-(2-chlorobenzoyl)-5'-methyl-2'-(4-methylbenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 4872116
(1'S,2'S,3S,3'aS)-1'-(2-chlorobenzoyl)-2'-(4-fluorobenzoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 100877049
2'-(2,5-dimethoxybenzoyl)-1'-(2,2-dimethylpropanoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 4977210
(1'S,2'S,3S,3'aS)-2'-(2-chlorobenzoyl)-5'-methyl-1'-(4-nitrobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 100871684
(1'R,2'S,3R,3'aR)-2'-(2-chlorobenzoyl)-5'-methyl-1'-(4-nitrobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 98455606
(1'S,2'R,3S,3'aR)-1'-acetyl-2'-(2-chlorobenzoyl)-5',7'-dimethylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 124773281
(1'R,2'S,3S,3'aR)-2'-(3,4-dimethoxybenzoyl)-1'-(2,2-dimethylpropanoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 98379764
(1'S,2'R,3S,3'aS)-2'-(1,3-benzodioxole-5-carbonyl)-1'-(2,2-dimethylpropanoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 124826327
(1'S,2'R,3S,3'aR)-1'-(2,2-dimethylpropanoyl)-5'-methyl-2'-(4-pentylbenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 98379266

Frequently Asked Questions

What is the IUPAC name of 2'-(2-chlorobenzoyl)-1'-(2,2-dimethylpropanoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?
The IUPAC name of 2'-(2-chlorobenzoyl)-1'-(2,2-dimethylpropanoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one (CID 3992614) is 2'-(2-chlorobenzoyl)-1'-(2,2-dimethylpropanoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one.
What is the SMILES notation for 2'-(2-chlorobenzoyl)-1'-(2,2-dimethylpropanoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?
The canonical SMILES for 2'-(2-chlorobenzoyl)-1'-(2,2-dimethylpropanoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one is CC1=CC2N(c3ccccc31)C(C(=O)C(C)(C)C)C(C(=O)c1ccccc1Cl)C21C(=O)Nc2ccccc21.
What is the InChIKey of 2'-(2-chlorobenzoyl)-1'-(2,2-dimethylpropanoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?
The InChIKey is WRHSBJXEQMDBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29ClN2O3/c1-18-17-25-32(21-13-7-9-15-23(21)34-30(32)38)26(28(36)20-12-5-8-14-22(20)33)27(29(37)31(2,3)4)35(25)24-16-10-6-11-19(18)24/h5-17,25-27H,1-4H3,(H,34,38).
What are the key properties of 2'-(2-chlorobenzoyl)-1'-(2,2-dimethylpropanoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?
2'-(2-chlorobenzoyl)-1'-(2,2-dimethylpropanoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one has a molecular weight of 525.05 g/mol, XLogP of 6.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(2-chlorobenzoyl)-1'-(2,2-dimethylpropanoyl)-5'-methylspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one is sourced from PubChem (CID 3992614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).