1'-acetyl-7'-fluoro-2'-(4-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

C29H23FN2O4 — CID 3543024

IUPAC1'-acetyl-7'-fluoro-2'-(4-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
SMILESCOc1ccc(C(=O)C2C(C(C)=O)N3c4ccc(F)cc4C=CC3C23C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C29H23FN2O4/c1-16(33)26-25(27(34)17-7-11-20(36-2)12-8-17)29(21-5-3-4-6-22(21)31-28(29)35)24-14-9-18-15-19(30)10-13-23(18)32(24)26/h3-15,24-26H,1-2H3,(H,31,35)
InChIKeyUOMFBAXXSKTNLL-UHFFFAOYSA-N
MW482.51 g/mol
LogP4.40
Rot. Bonds4

About 1'-acetyl-7'-fluoro-2'-(4-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

1'-acetyl-7'-fluoro-2'-(4-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one (PubChem CID 3543024) has the molecular formula C29H23FN2O4 and a molecular weight of 482.51 g/mol. Its IUPAC name is 1'-acetyl-7'-fluoro-2'-(4-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one.

Molecular Properties

Compound Name1'-acetyl-7'-fluoro-2'-(4-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
PubChem CID3543024
Molecular FormulaC29H23FN2O4
Molecular Weight482.51 g/mol
Exact Mass482.16
IUPAC Name1'-acetyl-7'-fluoro-2'-(4-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
SMILESCOc1ccc(C(=O)C2C(C(C)=O)N3c4ccc(F)cc4C=CC3C23C(=O)Nc2ccccc23)cc1
InChIInChI=1S/C29H23FN2O4/c1-16(33)26-25(27(34)17-7-11-20(36-2)12-8-17)29(21-5-3-4-6-22(21)31-28(29)35)24-14-9-18-15-19(30)10-13-23(18)32(24)26/h3-15,24-26H,1-2H3,(H,31,35)
InChIKeyUOMFBAXXSKTNLL-UHFFFAOYSA-N
XLogP4.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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'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'R,2'S,3R,3'aS)-1',2'-bis(4-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 100874804
(1'R,2'R,3S,3'aS)-1'-acetyl-2'-(2-fluorobenzoyl)-7'-methoxyspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 6588903
(1'R,2'S,3S,3'aS)-1'-(2-fluorobenzoyl)-2'-(4-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 124774064
(1'R,2'S,3S,3'aR)-1'-(2-fluorobenzoyl)-2'-(4-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 98451799
[4-[(1'S,2'R,3S,3'aS)-2'-(4-fluorobenzoyl)-2-oxospiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-1'-carbonyl]phenyl] acetate
CID 100832275
(1'S,2'R,3S,3'aS)-1'-acetyl-2'-(2-chlorobenzoyl)-7'-methoxyspiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 124773325
(1'S,2'R,3R,3'aS)-1'-acetyl-7'-fluoro-2'-(pyridine-2-carbonyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 92507739
(1'R,2'R,3S,3'aR)-1'-(4-bromobenzoyl)-7'-chloro-2'-(4-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 99660201
(1'R,2'S,3R,3'aR)-2'-(4-bromobenzoyl)-1'-(4-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one
CID 98451464
(2'R,3R,3'S,12'aS)-3'-acetyl-2'-(4-fluorobenzoyl)spiro[1H-indole-3,1'-3,12a-dihydro-2H-naphtho[2,1-e]indolizine]-2-one
CID 92507430

Frequently Asked Questions

What is the IUPAC name of 1'-acetyl-7'-fluoro-2'-(4-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?
The IUPAC name of 1'-acetyl-7'-fluoro-2'-(4-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one (CID 3543024) is 1'-acetyl-7'-fluoro-2'-(4-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one.
What is the SMILES notation for 1'-acetyl-7'-fluoro-2'-(4-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?
The canonical SMILES for 1'-acetyl-7'-fluoro-2'-(4-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one is COc1ccc(C(=O)C2C(C(C)=O)N3c4ccc(F)cc4C=CC3C23C(=O)Nc2ccccc23)cc1.
What is the InChIKey of 1'-acetyl-7'-fluoro-2'-(4-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?
The InChIKey is UOMFBAXXSKTNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23FN2O4/c1-16(33)26-25(27(34)17-7-11-20(36-2)12-8-17)29(21-5-3-4-6-22(21)31-28(29)35)24-14-9-18-15-19(30)10-13-23(18)32(24)26/h3-15,24-26H,1-2H3,(H,31,35).
What are the key properties of 1'-acetyl-7'-fluoro-2'-(4-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one?
1'-acetyl-7'-fluoro-2'-(4-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one has a molecular weight of 482.51 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-acetyl-7'-fluoro-2'-(4-methoxybenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one is sourced from PubChem (CID 3543024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).