4-chloro-8,8-difluoro-2,6-dimethylpyrrolo[2,3-g]quinazolin-7-one

C12H8ClF2N3O — CID 156537834

IUPAC4-chloro-8,8-difluoro-2,6-dimethylpyrrolo[2,3-g]quinazolin-7-one
SMILESCc1nc(Cl)c2cc3c(cc2n1)C(F)(F)C(=O)N3C
InChIInChI=1S/C12H8ClF2N3O/c1-5-16-8-4-7-9(3-6(8)10(13)17-5)18(2)11(19)12(7,14)15/h3-4H,1-2H3
InChIKeyHLPOWUIQEQUWPG-UHFFFAOYSA-N
MW283.67 g/mol
LogP2.66
Rot. Bonds

About 4-chloro-8,8-difluoro-2,6-dimethylpyrrolo[2,3-g]quinazolin-7-one

4-chloro-8,8-difluoro-2,6-dimethylpyrrolo[2,3-g]quinazolin-7-one (PubChem CID 156537834) has the molecular formula C12H8ClF2N3O and a molecular weight of 283.67 g/mol. Its IUPAC name is 4-chloro-8,8-difluoro-2,6-dimethylpyrrolo[2,3-g]quinazolin-7-one.

Molecular Properties

Compound Name4-chloro-8,8-difluoro-2,6-dimethylpyrrolo[2,3-g]quinazolin-7-one
PubChem CID156537834
Molecular FormulaC12H8ClF2N3O
Molecular Weight283.67 g/mol
Exact Mass283.03
IUPAC Name4-chloro-8,8-difluoro-2,6-dimethylpyrrolo[2,3-g]quinazolin-7-one
SMILESCc1nc(Cl)c2cc3c(cc2n1)C(F)(F)C(=O)N3C
InChIInChI=1S/C12H8ClF2N3O/c1-5-16-8-4-7-9(3-6(8)10(13)17-5)18(2)11(19)12(7,14)15/h3-4H,1-2H3
InChIKeyHLPOWUIQEQUWPG-UHFFFAOYSA-N
XLogP2.66
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.67
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-8,8-difluoro-2,6-dimethylpyrrolo[2,3-g]quinazolin-7-one?
The IUPAC name of 4-chloro-8,8-difluoro-2,6-dimethylpyrrolo[2,3-g]quinazolin-7-one (CID 156537834) is 4-chloro-8,8-difluoro-2,6-dimethylpyrrolo[2,3-g]quinazolin-7-one.
What is the SMILES notation for 4-chloro-8,8-difluoro-2,6-dimethylpyrrolo[2,3-g]quinazolin-7-one?
The canonical SMILES for 4-chloro-8,8-difluoro-2,6-dimethylpyrrolo[2,3-g]quinazolin-7-one is Cc1nc(Cl)c2cc3c(cc2n1)C(F)(F)C(=O)N3C.
What is the InChIKey of 4-chloro-8,8-difluoro-2,6-dimethylpyrrolo[2,3-g]quinazolin-7-one?
The InChIKey is HLPOWUIQEQUWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N3O/c1-5-16-8-4-7-9(3-6(8)10(13)17-5)18(2)11(19)12(7,14)15/h3-4H,1-2H3.
What are the key properties of 4-chloro-8,8-difluoro-2,6-dimethylpyrrolo[2,3-g]quinazolin-7-one?
4-chloro-8,8-difluoro-2,6-dimethylpyrrolo[2,3-g]quinazolin-7-one has a molecular weight of 283.67 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8,8-difluoro-2,6-dimethylpyrrolo[2,3-g]quinazolin-7-one is sourced from PubChem (CID 156537834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).