4-amino-7-bromocinnoline-3-carboxamide

C9H7BrN4O — CID 10400751

IUPAC4-amino-7-bromocinnoline-3-carboxamide
SMILESNC(=O)c1nnc2cc(Br)ccc2c1N
InChIInChI=1S/C9H7BrN4O/c10-4-1-2-5-6(3-4)13-14-8(7(5)11)9(12)15/h1-3H,(H2,11,13)(H2,12,15)
InChIKeyQIHVDYPNHBKJAN-UHFFFAOYSA-N
MW267.09 g/mol
LogP1.07
Rot. Bonds1

About 4-amino-7-bromocinnoline-3-carboxamide

4-amino-7-bromocinnoline-3-carboxamide (PubChem CID 10400751) has the molecular formula C9H7BrN4O and a molecular weight of 267.09 g/mol. Its IUPAC name is 4-amino-7-bromocinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-7-bromocinnoline-3-carboxamide
PubChem CID10400751
Molecular FormulaC9H7BrN4O
Molecular Weight267.09 g/mol
Exact Mass265.98
IUPAC Name4-amino-7-bromocinnoline-3-carboxamide
SMILESNC(=O)c1nnc2cc(Br)ccc2c1N
InChIInChI=1S/C9H7BrN4O/c10-4-1-2-5-6(3-4)13-14-8(7(5)11)9(12)15/h1-3H,(H2,11,13)(H2,12,15)
InChIKeyQIHVDYPNHBKJAN-UHFFFAOYSA-N
XLogP1.07
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-bromocinnoline-3-carboxamide?
The IUPAC name of 4-amino-7-bromocinnoline-3-carboxamide (CID 10400751) is 4-amino-7-bromocinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-7-bromocinnoline-3-carboxamide?
The canonical SMILES for 4-amino-7-bromocinnoline-3-carboxamide is NC(=O)c1nnc2cc(Br)ccc2c1N.
What is the InChIKey of 4-amino-7-bromocinnoline-3-carboxamide?
The InChIKey is QIHVDYPNHBKJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O/c10-4-1-2-5-6(3-4)13-14-8(7(5)11)9(12)15/h1-3H,(H2,11,13)(H2,12,15).
What are the key properties of 4-amino-7-bromocinnoline-3-carboxamide?
4-amino-7-bromocinnoline-3-carboxamide has a molecular weight of 267.09 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-bromocinnoline-3-carboxamide is sourced from PubChem (CID 10400751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).