1-(4-fluorobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile

C20H11FN2O — CID 10267630

IUPAC1-(4-fluorobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2ccc(F)cc2)n2c1ccc1ccccc12
InChIInChI=1S/C20H11FN2O/c21-16-8-5-14(6-9-16)20(24)19-11-15(12-22)18-10-7-13-3-1-2-4-17(13)23(18)19/h1-11H
InChIKeyPIBNDYFDCIRALS-UHFFFAOYSA-N
MW314.32 g/mol
LogP4.33
Rot. Bonds2

About 1-(4-fluorobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile

1-(4-fluorobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile (PubChem CID 10267630) has the molecular formula C20H11FN2O and a molecular weight of 314.32 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile
PubChem CID10267630
Molecular FormulaC20H11FN2O
Molecular Weight314.32 g/mol
Exact Mass314.09
IUPAC Name1-(4-fluorobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2ccc(F)cc2)n2c1ccc1ccccc12
InChIInChI=1S/C20H11FN2O/c21-16-8-5-14(6-9-16)20(24)19-11-15(12-22)18-10-7-13-3-1-2-4-17(13)23(18)19/h1-11H
InChIKeyPIBNDYFDCIRALS-UHFFFAOYSA-N
XLogP4.33
TPSA45.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile?
The IUPAC name of 1-(4-fluorobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile (CID 10267630) is 1-(4-fluorobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile.
What is the SMILES notation for 1-(4-fluorobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile?
The canonical SMILES for 1-(4-fluorobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile is N#Cc1cc(C(=O)c2ccc(F)cc2)n2c1ccc1ccccc12.
What is the InChIKey of 1-(4-fluorobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile?
The InChIKey is PIBNDYFDCIRALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11FN2O/c21-16-8-5-14(6-9-16)20(24)19-11-15(12-22)18-10-7-13-3-1-2-4-17(13)23(18)19/h1-11H.
What are the key properties of 1-(4-fluorobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile?
1-(4-fluorobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile has a molecular weight of 314.32 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)pyrrolo[1,2-a]quinoline-3-carbonitrile is sourced from PubChem (CID 10267630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).