1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile

C24H18FN3O — CID 2833760

IUPAC1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
SMILESN#CC1(C#N)C(c2ccc(F)cc2)C(C(=O)C2CC2)N2c3ccccc3C=CC21
InChIInChI=1S/C24H18FN3O/c25-18-10-7-16(8-11-18)21-22(23(29)17-5-6-17)28-19-4-2-1-3-15(19)9-12-20(28)24(21,13-26)14-27/h1-4,7-12,17,20-22H,5-6H2
InChIKeyJXXIPFXSLCWZLE-UHFFFAOYSA-N
MW383.43 g/mol
LogP4.21
Rot. Bonds3

About 1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile

1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile (PubChem CID 2833760) has the molecular formula C24H18FN3O and a molecular weight of 383.43 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
PubChem CID2833760
Molecular FormulaC24H18FN3O
Molecular Weight383.43 g/mol
Exact Mass383.14
IUPAC Name1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
SMILESN#CC1(C#N)C(c2ccc(F)cc2)C(C(=O)C2CC2)N2c3ccccc3C=CC21
InChIInChI=1S/C24H18FN3O/c25-18-10-7-16(8-11-18)21-22(23(29)17-5-6-17)28-19-4-2-1-3-15(19)9-12-20(28)24(21,13-26)14-27/h1-4,7-12,17,20-22H,5-6H2
InChIKeyJXXIPFXSLCWZLE-UHFFFAOYSA-N
XLogP4.21
TPSA67.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile?
The IUPAC name of 1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile (CID 2833760) is 1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile?
The canonical SMILES for 1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile is N#CC1(C#N)C(c2ccc(F)cc2)C(C(=O)C2CC2)N2c3ccccc3C=CC21.
What is the InChIKey of 1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile?
The InChIKey is JXXIPFXSLCWZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O/c25-18-10-7-16(8-11-18)21-22(23(29)17-5-6-17)28-19-4-2-1-3-15(19)9-12-20(28)24(21,13-26)14-27/h1-4,7-12,17,20-22H,5-6H2.
What are the key properties of 1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile?
1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile has a molecular weight of 383.43 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-2-(4-fluorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile is sourced from PubChem (CID 2833760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).