5-bromo-N-quinolin-8-ylpyridine-2-carboxamide

C15H10BrN3O — CID 62953682

IUPAC5-bromo-N-quinolin-8-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(Br)cn1
InChIInChI=1S/C15H10BrN3O/c16-11-6-7-13(18-9-11)15(20)19-12-5-1-3-10-4-2-8-17-14(10)12/h1-9H,(H,19,20)
InChIKeyQQLKHUJERWNURC-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.64
Rot. Bonds2

About 5-bromo-N-quinolin-8-ylpyridine-2-carboxamide

5-bromo-N-quinolin-8-ylpyridine-2-carboxamide (PubChem CID 62953682) has the molecular formula C15H10BrN3O and a molecular weight of 328.17 g/mol. Its IUPAC name is 5-bromo-N-quinolin-8-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-quinolin-8-ylpyridine-2-carboxamide
PubChem CID62953682
Molecular FormulaC15H10BrN3O
Molecular Weight328.17 g/mol
Exact Mass327.00
IUPAC Name5-bromo-N-quinolin-8-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ccc(Br)cn1
InChIInChI=1S/C15H10BrN3O/c16-11-6-7-13(18-9-11)15(20)19-12-5-1-3-10-4-2-8-17-14(10)12/h1-9H,(H,19,20)
InChIKeyQQLKHUJERWNURC-UHFFFAOYSA-N
XLogP3.64
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-quinolin-8-ylpyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-quinolin-8-ylpyridine-2-carboxamide (CID 62953682) is 5-bromo-N-quinolin-8-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-quinolin-8-ylpyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-quinolin-8-ylpyridine-2-carboxamide is O=C(Nc1cccc2cccnc12)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-quinolin-8-ylpyridine-2-carboxamide?
The InChIKey is QQLKHUJERWNURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O/c16-11-6-7-13(18-9-11)15(20)19-12-5-1-3-10-4-2-8-17-14(10)12/h1-9H,(H,19,20).
What are the key properties of 5-bromo-N-quinolin-8-ylpyridine-2-carboxamide?
5-bromo-N-quinolin-8-ylpyridine-2-carboxamide has a molecular weight of 328.17 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-quinolin-8-ylpyridine-2-carboxamide is sourced from PubChem (CID 62953682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).