7-chloro-1,3-dihydropyrrolo[2,3-c]isoquinolin-2-one

C11H7ClN2O — CID 167511589

IUPAC7-chloro-1,3-dihydropyrrolo[2,3-c]isoquinolin-2-one
SMILESO=C1Cc2c(ncc3cc(Cl)ccc23)N1
InChIInChI=1S/C11H7ClN2O/c12-7-1-2-8-6(3-7)5-13-11-9(8)4-10(15)14-11/h1-3,5H,4H2,(H,13,14,15)
InChIKeyWMMFAWUDVCTFFV-UHFFFAOYSA-N
MW218.64 g/mol
LogP2.38
Rot. Bonds

About 7-chloro-1,3-dihydropyrrolo[2,3-c]isoquinolin-2-one

7-chloro-1,3-dihydropyrrolo[2,3-c]isoquinolin-2-one (PubChem CID 167511589) has the molecular formula C11H7ClN2O and a molecular weight of 218.64 g/mol. Its IUPAC name is 7-chloro-1,3-dihydropyrrolo[2,3-c]isoquinolin-2-one.

Molecular Properties

Compound Name7-chloro-1,3-dihydropyrrolo[2,3-c]isoquinolin-2-one
PubChem CID167511589
Molecular FormulaC11H7ClN2O
Molecular Weight218.64 g/mol
Exact Mass218.02
IUPAC Name7-chloro-1,3-dihydropyrrolo[2,3-c]isoquinolin-2-one
SMILESO=C1Cc2c(ncc3cc(Cl)ccc23)N1
InChIInChI=1S/C11H7ClN2O/c12-7-1-2-8-6(3-7)5-13-11-9(8)4-10(15)14-11/h1-3,5H,4H2,(H,13,14,15)
InChIKeyWMMFAWUDVCTFFV-UHFFFAOYSA-N
XLogP2.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,3-dihydropyrrolo[2,3-c]isoquinolin-2-one?
The IUPAC name of 7-chloro-1,3-dihydropyrrolo[2,3-c]isoquinolin-2-one (CID 167511589) is 7-chloro-1,3-dihydropyrrolo[2,3-c]isoquinolin-2-one.
What is the SMILES notation for 7-chloro-1,3-dihydropyrrolo[2,3-c]isoquinolin-2-one?
The canonical SMILES for 7-chloro-1,3-dihydropyrrolo[2,3-c]isoquinolin-2-one is O=C1Cc2c(ncc3cc(Cl)ccc23)N1.
What is the InChIKey of 7-chloro-1,3-dihydropyrrolo[2,3-c]isoquinolin-2-one?
The InChIKey is WMMFAWUDVCTFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O/c12-7-1-2-8-6(3-7)5-13-11-9(8)4-10(15)14-11/h1-3,5H,4H2,(H,13,14,15).
What are the key properties of 7-chloro-1,3-dihydropyrrolo[2,3-c]isoquinolin-2-one?
7-chloro-1,3-dihydropyrrolo[2,3-c]isoquinolin-2-one has a molecular weight of 218.64 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,3-dihydropyrrolo[2,3-c]isoquinolin-2-one is sourced from PubChem (CID 167511589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).