6-amino-5-bromoquinoline-7-carboxamide

C10H8BrN3O — CID 171645225

IUPAC6-amino-5-bromoquinoline-7-carboxamide
SMILESNC(=O)c1cc2ncccc2c(Br)c1N
InChIInChI=1S/C10H8BrN3O/c11-8-5-2-1-3-14-7(5)4-6(9(8)12)10(13)15/h1-4H,12H2,(H2,13,15)
InChIKeySOTSOFXBIAXYNV-UHFFFAOYSA-N
MW266.10 g/mol
LogP1.68
Rot. Bonds1

About 6-amino-5-bromoquinoline-7-carboxamide

6-amino-5-bromoquinoline-7-carboxamide (PubChem CID 171645225) has the molecular formula C10H8BrN3O and a molecular weight of 266.10 g/mol. Its IUPAC name is 6-amino-5-bromoquinoline-7-carboxamide.

Molecular Properties

Compound Name6-amino-5-bromoquinoline-7-carboxamide
PubChem CID171645225
Molecular FormulaC10H8BrN3O
Molecular Weight266.10 g/mol
Exact Mass264.99
IUPAC Name6-amino-5-bromoquinoline-7-carboxamide
SMILESNC(=O)c1cc2ncccc2c(Br)c1N
InChIInChI=1S/C10H8BrN3O/c11-8-5-2-1-3-14-7(5)4-6(9(8)12)10(13)15/h1-4H,12H2,(H2,13,15)
InChIKeySOTSOFXBIAXYNV-UHFFFAOYSA-N
XLogP1.68
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-5-(3-hydroxy-2-methylphenyl)quinoline-7-carboxamide
CID 171645198
7-methylquinoline-5-carboxamide
CID 175838223
6-methylquinoline-7-carboxamide
CID 142343744
5-bromoquinolin-7-ol
CID 136948962
7-bromo-5-methylquinolin-6-amine
CID 167472712
5-aminoquinoline-6-carboxylic acid
CID 13221190
5-amino-2-(quinolin-5-ylamino)benzamide
CID 61306152
3-amino-2-bromopyridine-4-carboxamide
CID 112757948
2-(7-fluoroquinolin-5-yl)acetamide
CID 68784549
(5-bromo-7-methylquinolin-6-yl) trifluoromethanesulfonate
CID 86691979
8-hydroxy-5-methylquinoline-7-carboxamide
CID 21271433
8-bromo-6-fluoroquinoline-5-carboxamide
CID 177323704

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-bromoquinoline-7-carboxamide?
The IUPAC name of 6-amino-5-bromoquinoline-7-carboxamide (CID 171645225) is 6-amino-5-bromoquinoline-7-carboxamide.
What is the SMILES notation for 6-amino-5-bromoquinoline-7-carboxamide?
The canonical SMILES for 6-amino-5-bromoquinoline-7-carboxamide is NC(=O)c1cc2ncccc2c(Br)c1N.
What is the InChIKey of 6-amino-5-bromoquinoline-7-carboxamide?
The InChIKey is SOTSOFXBIAXYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O/c11-8-5-2-1-3-14-7(5)4-6(9(8)12)10(13)15/h1-4H,12H2,(H2,13,15).
What are the key properties of 6-amino-5-bromoquinoline-7-carboxamide?
6-amino-5-bromoquinoline-7-carboxamide has a molecular weight of 266.10 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-bromoquinoline-7-carboxamide is sourced from PubChem (CID 171645225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).