4-amino-7-chloro-6-fluorocinnoline-3-carboxamide

C9H6ClFN4O — CID 3074577

IUPAC4-amino-7-chloro-6-fluorocinnoline-3-carboxamide
SMILESNC(=O)c1nnc2cc(Cl)c(F)cc2c1N
InChIInChI=1S/C9H6ClFN4O/c10-4-2-6-3(1-5(4)11)7(12)8(9(13)16)15-14-6/h1-2H,(H2,12,14)(H2,13,16)
InChIKeyISONHGCOBHHRMJ-UHFFFAOYSA-N
MW240.62 g/mol
LogP1.10
Rot. Bonds1

About 4-amino-7-chloro-6-fluorocinnoline-3-carboxamide

4-amino-7-chloro-6-fluorocinnoline-3-carboxamide (PubChem CID 3074577) has the molecular formula C9H6ClFN4O and a molecular weight of 240.62 g/mol. Its IUPAC name is 4-amino-7-chloro-6-fluorocinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-7-chloro-6-fluorocinnoline-3-carboxamide
PubChem CID3074577
Molecular FormulaC9H6ClFN4O
Molecular Weight240.62 g/mol
Exact Mass240.02
IUPAC Name4-amino-7-chloro-6-fluorocinnoline-3-carboxamide
SMILESNC(=O)c1nnc2cc(Cl)c(F)cc2c1N
InChIInChI=1S/C9H6ClFN4O/c10-4-2-6-3(1-5(4)11)7(12)8(9(13)16)15-14-6/h1-2H,(H2,12,14)(H2,13,16)
InChIKeyISONHGCOBHHRMJ-UHFFFAOYSA-N
XLogP1.10
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.62
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-7-chloro-6-fluorocinnoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-chloro-6-fluorocinnoline-3-carboxamide?
The IUPAC name of 4-amino-7-chloro-6-fluorocinnoline-3-carboxamide (CID 3074577) is 4-amino-7-chloro-6-fluorocinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-7-chloro-6-fluorocinnoline-3-carboxamide?
The canonical SMILES for 4-amino-7-chloro-6-fluorocinnoline-3-carboxamide is NC(=O)c1nnc2cc(Cl)c(F)cc2c1N.
What is the InChIKey of 4-amino-7-chloro-6-fluorocinnoline-3-carboxamide?
The InChIKey is ISONHGCOBHHRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN4O/c10-4-2-6-3(1-5(4)11)7(12)8(9(13)16)15-14-6/h1-2H,(H2,12,14)(H2,13,16).
What are the key properties of 4-amino-7-chloro-6-fluorocinnoline-3-carboxamide?
4-amino-7-chloro-6-fluorocinnoline-3-carboxamide has a molecular weight of 240.62 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-chloro-6-fluorocinnoline-3-carboxamide is sourced from PubChem (CID 3074577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).