N-[1-acetyl-2-(2-fluorophenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-6-yl]acetamide

C30H23FN2O4 — CID 3276432

IUPACN-[1-acetyl-2-(2-fluorophenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-6-yl]acetamide
SMILESCC(=O)Nc1cccc2c1C=CC1N2C(C(C)=O)C(c2ccccc2F)C12C(=O)c1ccccc1C2=O
InChIInChI=1S/C30H23FN2O4/c1-16(34)27-26(20-10-5-6-11-22(20)31)30(28(36)18-8-3-4-9-19(18)29(30)37)25-15-14-21-23(32-17(2)35)12-7-13-24(21)33(25)27/h3-15,25-27H,1-2H3,(H,32,35)
InChIKeyYDBZXRIHCLXMNT-UHFFFAOYSA-N
MW494.52 g/mol
LogP4.81
Rot. Bonds3

About N-[1-acetyl-2-(2-fluorophenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-6-yl]acetamide

N-[1-acetyl-2-(2-fluorophenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-6-yl]acetamide (PubChem CID 3276432) has the molecular formula C30H23FN2O4 and a molecular weight of 494.52 g/mol. Its IUPAC name is N-[1-acetyl-2-(2-fluorophenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-acetyl-2-(2-fluorophenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-6-yl]acetamide
PubChem CID3276432
Molecular FormulaC30H23FN2O4
Molecular Weight494.52 g/mol
Exact Mass494.16
IUPAC NameN-[1-acetyl-2-(2-fluorophenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-6-yl]acetamide
SMILESCC(=O)Nc1cccc2c1C=CC1N2C(C(C)=O)C(c2ccccc2F)C12C(=O)c1ccccc1C2=O
InChIInChI=1S/C30H23FN2O4/c1-16(34)27-26(20-10-5-6-11-22(20)31)30(28(36)18-8-3-4-9-19(18)29(30)37)25-15-14-21-23(32-17(2)35)12-7-13-24(21)33(25)27/h3-15,25-27H,1-2H3,(H,32,35)
InChIKeyYDBZXRIHCLXMNT-UHFFFAOYSA-N
XLogP4.81
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.52
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-acetyl-2-(2-fluorophenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-6-yl]acetamide?
The IUPAC name of N-[1-acetyl-2-(2-fluorophenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-6-yl]acetamide (CID 3276432) is N-[1-acetyl-2-(2-fluorophenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-6-yl]acetamide.
What is the SMILES notation for N-[1-acetyl-2-(2-fluorophenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-6-yl]acetamide?
The canonical SMILES for N-[1-acetyl-2-(2-fluorophenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-6-yl]acetamide is CC(=O)Nc1cccc2c1C=CC1N2C(C(C)=O)C(c2ccccc2F)C12C(=O)c1ccccc1C2=O.
What is the InChIKey of N-[1-acetyl-2-(2-fluorophenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-6-yl]acetamide?
The InChIKey is YDBZXRIHCLXMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23FN2O4/c1-16(34)27-26(20-10-5-6-11-22(20)31)30(28(36)18-8-3-4-9-19(18)29(30)37)25-15-14-21-23(32-17(2)35)12-7-13-24(21)33(25)27/h3-15,25-27H,1-2H3,(H,32,35).
What are the key properties of N-[1-acetyl-2-(2-fluorophenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-6-yl]acetamide?
N-[1-acetyl-2-(2-fluorophenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-6-yl]acetamide has a molecular weight of 494.52 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-acetyl-2-(2-fluorophenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-6-yl]acetamide is sourced from PubChem (CID 3276432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).