4-amino-8-bromo-N-cyclopropyl-7-fluorocinnoline-3-carboxamide

C12H10BrFN4O — CID 91664586

IUPAC4-amino-8-bromo-N-cyclopropyl-7-fluorocinnoline-3-carboxamide
SMILESNc1c(C(=O)NC2CC2)nnc2c(Br)c(F)ccc12
InChIInChI=1S/C12H10BrFN4O/c13-8-7(14)4-3-6-9(15)11(18-17-10(6)8)12(19)16-5-1-2-5/h3-5H,1-2H2,(H2,15,17)(H,16,19)
InChIKeyPMOVIOFCWIBLQH-UHFFFAOYSA-N
MW325.14 g/mol
LogP2.01
Rot. Bonds2

About 4-amino-8-bromo-N-cyclopropyl-7-fluorocinnoline-3-carboxamide

4-amino-8-bromo-N-cyclopropyl-7-fluorocinnoline-3-carboxamide (PubChem CID 91664586) has the molecular formula C12H10BrFN4O and a molecular weight of 325.14 g/mol. Its IUPAC name is 4-amino-8-bromo-N-cyclopropyl-7-fluorocinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-bromo-N-cyclopropyl-7-fluorocinnoline-3-carboxamide
PubChem CID91664586
Molecular FormulaC12H10BrFN4O
Molecular Weight325.14 g/mol
Exact Mass324.00
IUPAC Name4-amino-8-bromo-N-cyclopropyl-7-fluorocinnoline-3-carboxamide
SMILESNc1c(C(=O)NC2CC2)nnc2c(Br)c(F)ccc12
InChIInChI=1S/C12H10BrFN4O/c13-8-7(14)4-3-6-9(15)11(18-17-10(6)8)12(19)16-5-1-2-5/h3-5H,1-2H2,(H2,15,17)(H,16,19)
InChIKeyPMOVIOFCWIBLQH-UHFFFAOYSA-N
XLogP2.01
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 52.01
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-N-cyclopropyl-7-fluorocinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-bromo-N-cyclopropyl-7-fluorocinnoline-3-carboxamide (CID 91664586) is 4-amino-8-bromo-N-cyclopropyl-7-fluorocinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-bromo-N-cyclopropyl-7-fluorocinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-bromo-N-cyclopropyl-7-fluorocinnoline-3-carboxamide is Nc1c(C(=O)NC2CC2)nnc2c(Br)c(F)ccc12.
What is the InChIKey of 4-amino-8-bromo-N-cyclopropyl-7-fluorocinnoline-3-carboxamide?
The InChIKey is PMOVIOFCWIBLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN4O/c13-8-7(14)4-3-6-9(15)11(18-17-10(6)8)12(19)16-5-1-2-5/h3-5H,1-2H2,(H2,15,17)(H,16,19).
What are the key properties of 4-amino-8-bromo-N-cyclopropyl-7-fluorocinnoline-3-carboxamide?
4-amino-8-bromo-N-cyclopropyl-7-fluorocinnoline-3-carboxamide has a molecular weight of 325.14 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-bromo-N-cyclopropyl-7-fluorocinnoline-3-carboxamide is sourced from PubChem (CID 91664586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).