4-amino-8-bromo-N-methylcinnoline-3-carboxamide

C10H9BrN4O — CID 67228769

IUPAC4-amino-8-bromo-N-methylcinnoline-3-carboxamide
SMILESCNC(=O)c1nnc2c(Br)cccc2c1N
InChIInChI=1S/C10H9BrN4O/c1-13-10(16)9-7(12)5-3-2-4-6(11)8(5)14-15-9/h2-4H,1H3,(H2,12,14)(H,13,16)
InChIKeyKPHNVPLZXJUDTE-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.33
Rot. Bonds1

About 4-amino-8-bromo-N-methylcinnoline-3-carboxamide

4-amino-8-bromo-N-methylcinnoline-3-carboxamide (PubChem CID 67228769) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is 4-amino-8-bromo-N-methylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-bromo-N-methylcinnoline-3-carboxamide
PubChem CID67228769
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC Name4-amino-8-bromo-N-methylcinnoline-3-carboxamide
SMILESCNC(=O)c1nnc2c(Br)cccc2c1N
InChIInChI=1S/C10H9BrN4O/c1-13-10(16)9-7(12)5-3-2-4-6(11)8(5)14-15-9/h2-4H,1H3,(H2,12,14)(H,13,16)
InChIKeyKPHNVPLZXJUDTE-UHFFFAOYSA-N
XLogP1.33
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-8-(2-methylpropyl)-N-propylcinnoline-3-carboxamide
CID 14012378
3-Cinnolinecarboxamide, 4-amino-N-(2-(diethylamino)ethyl)-7-fluoro-
CID 3075590
3-Cinnolinecarboxamide, 4-amino-N-(2-(diethylamino)ethyl)-8-fluoro-
CID 3075597
Ici 198256
CID 129537
4-amino-8-bromo-N,N-di(cyclobutyl)-7-fluorocinnoline-3-carboxamide
CID 135079512
4-Amino-7-bromocinnoline-3-carboxamide
CID 10400751
4-amino-N-(cyclopropylmethyl)-8-propylcinnoline-3-carboxamide
CID 14012320
4-Amino-8-bromo-N-propylcinnoline-3-carboxamide
CID 14012326
4-Amino-8-fluoro-N-propyl-cinnoline-3-carboxamide
CID 14012328
4-amino7-fluoro-8-iodo-N-propylcinnoline-3-carboxamide
CID 59791626
4-amino-8-bromo-7-fluoro-N-cyclobutyl-cinnoline-3-carboxamide
CID 67229734
4-amino-8-bromo-7-fluoro-N-propyl-cinnoline-3-carboxamide
CID 67229902

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-bromo-N-methylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-bromo-N-methylcinnoline-3-carboxamide (CID 67228769) is 4-amino-8-bromo-N-methylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-bromo-N-methylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-bromo-N-methylcinnoline-3-carboxamide is CNC(=O)c1nnc2c(Br)cccc2c1N.
What is the InChIKey of 4-amino-8-bromo-N-methylcinnoline-3-carboxamide?
The InChIKey is KPHNVPLZXJUDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O/c1-13-10(16)9-7(12)5-3-2-4-6(11)8(5)14-15-9/h2-4H,1H3,(H2,12,14)(H,13,16).
What are the key properties of 4-amino-8-bromo-N-methylcinnoline-3-carboxamide?
4-amino-8-bromo-N-methylcinnoline-3-carboxamide has a molecular weight of 281.11 g/mol, XLogP of 1.33, 1 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-methylcinnoline-3-carboxamide is sourced from PubChem (CID 67228769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).