4-amino-8-bromo-7-fluoro-N-propylcinnoline-3-carboxamide

C12H12BrFN4O — CID 67229902

IUPAC4-amino-8-bromo-7-fluoro-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(Br)c(F)ccc2c1N
InChIInChI=1S/C12H12BrFN4O/c1-2-5-16-12(19)11-9(15)6-3-4-7(14)8(13)10(6)17-18-11/h3-4H,2,5H2,1H3,(H2,15,17)(H,16,19)
InChIKeyPSFRIJZTZOUXGO-UHFFFAOYSA-N
MW327.16 g/mol
LogP2.25
Rot. Bonds3

About 4-amino-8-bromo-7-fluoro-N-propylcinnoline-3-carboxamide

4-amino-8-bromo-7-fluoro-N-propylcinnoline-3-carboxamide (PubChem CID 67229902) has the molecular formula C12H12BrFN4O and a molecular weight of 327.16 g/mol. Its IUPAC name is 4-amino-8-bromo-7-fluoro-N-propylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-bromo-7-fluoro-N-propylcinnoline-3-carboxamide
PubChem CID67229902
Molecular FormulaC12H12BrFN4O
Molecular Weight327.16 g/mol
Exact Mass326.02
IUPAC Name4-amino-8-bromo-7-fluoro-N-propylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(Br)c(F)ccc2c1N
InChIInChI=1S/C12H12BrFN4O/c1-2-5-16-12(19)11-9(15)6-3-4-7(14)8(13)10(6)17-18-11/h3-4H,2,5H2,1H3,(H2,15,17)(H,16,19)
InChIKeyPSFRIJZTZOUXGO-UHFFFAOYSA-N
XLogP2.25
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-bromo-7-fluoro-N-propylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-bromo-7-fluoro-N-propylcinnoline-3-carboxamide (CID 67229902) is 4-amino-8-bromo-7-fluoro-N-propylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-bromo-7-fluoro-N-propylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-bromo-7-fluoro-N-propylcinnoline-3-carboxamide is CCCNC(=O)c1nnc2c(Br)c(F)ccc2c1N.
What is the InChIKey of 4-amino-8-bromo-7-fluoro-N-propylcinnoline-3-carboxamide?
The InChIKey is PSFRIJZTZOUXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN4O/c1-2-5-16-12(19)11-9(15)6-3-4-7(14)8(13)10(6)17-18-11/h3-4H,2,5H2,1H3,(H2,15,17)(H,16,19).
What are the key properties of 4-amino-8-bromo-7-fluoro-N-propylcinnoline-3-carboxamide?
4-amino-8-bromo-7-fluoro-N-propylcinnoline-3-carboxamide has a molecular weight of 327.16 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-bromo-7-fluoro-N-propylcinnoline-3-carboxamide is sourced from PubChem (CID 67229902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).