1-benzoyl-7-chloropyrrolo[1,2-a]quinoline-3-carbonitrile

C20H11ClN2O — CID 10314610

IUPAC1-benzoyl-7-chloropyrrolo[1,2-a]quinoline-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2ccccc2)n2c1ccc1cc(Cl)ccc12
InChIInChI=1S/C20H11ClN2O/c21-16-7-9-17-14(10-16)6-8-18-15(12-22)11-19(23(17)18)20(24)13-4-2-1-3-5-13/h1-11H
InChIKeyPZOJKLRUCLEFKW-UHFFFAOYSA-N
MW330.77 g/mol
LogP4.85
Rot. Bonds2

About 1-benzoyl-7-chloropyrrolo[1,2-a]quinoline-3-carbonitrile

1-benzoyl-7-chloropyrrolo[1,2-a]quinoline-3-carbonitrile (PubChem CID 10314610) has the molecular formula C20H11ClN2O and a molecular weight of 330.77 g/mol. Its IUPAC name is 1-benzoyl-7-chloropyrrolo[1,2-a]quinoline-3-carbonitrile.

Molecular Properties

Compound Name1-benzoyl-7-chloropyrrolo[1,2-a]quinoline-3-carbonitrile
PubChem CID10314610
Molecular FormulaC20H11ClN2O
Molecular Weight330.77 g/mol
Exact Mass330.06
IUPAC Name1-benzoyl-7-chloropyrrolo[1,2-a]quinoline-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2ccccc2)n2c1ccc1cc(Cl)ccc12
InChIInChI=1S/C20H11ClN2O/c21-16-7-9-17-14(10-16)6-8-18-15(12-22)11-19(23(17)18)20(24)13-4-2-1-3-5-13/h1-11H
InChIKeyPZOJKLRUCLEFKW-UHFFFAOYSA-N
XLogP4.85
TPSA45.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-7-chloropyrrolo[1,2-a]quinoline-3-carbonitrile?
The IUPAC name of 1-benzoyl-7-chloropyrrolo[1,2-a]quinoline-3-carbonitrile (CID 10314610) is 1-benzoyl-7-chloropyrrolo[1,2-a]quinoline-3-carbonitrile.
What is the SMILES notation for 1-benzoyl-7-chloropyrrolo[1,2-a]quinoline-3-carbonitrile?
The canonical SMILES for 1-benzoyl-7-chloropyrrolo[1,2-a]quinoline-3-carbonitrile is N#Cc1cc(C(=O)c2ccccc2)n2c1ccc1cc(Cl)ccc12.
What is the InChIKey of 1-benzoyl-7-chloropyrrolo[1,2-a]quinoline-3-carbonitrile?
The InChIKey is PZOJKLRUCLEFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClN2O/c21-16-7-9-17-14(10-16)6-8-18-15(12-22)11-19(23(17)18)20(24)13-4-2-1-3-5-13/h1-11H.
What are the key properties of 1-benzoyl-7-chloropyrrolo[1,2-a]quinoline-3-carbonitrile?
1-benzoyl-7-chloropyrrolo[1,2-a]quinoline-3-carbonitrile has a molecular weight of 330.77 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-7-chloropyrrolo[1,2-a]quinoline-3-carbonitrile is sourced from PubChem (CID 10314610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).