6-bromo-2-pyridin-3-ylquinoline-4-carboxamide

C15H10BrN3O — CID 899135

IUPAC6-bromo-2-pyridin-3-ylquinoline-4-carboxamide
SMILESNC(=O)c1cc(-c2cccnc2)nc2ccc(Br)cc12
InChIInChI=1S/C15H10BrN3O/c16-10-3-4-13-11(6-10)12(15(17)20)7-14(19-13)9-2-1-5-18-8-9/h1-8H,(H2,17,20)
InChIKeyKKJAVDQOFPKKMM-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.16
Rot. Bonds2

About 6-bromo-2-pyridin-3-ylquinoline-4-carboxamide

6-bromo-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 899135) has the molecular formula C15H10BrN3O and a molecular weight of 328.17 g/mol. Its IUPAC name is 6-bromo-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID899135
Molecular FormulaC15H10BrN3O
Molecular Weight328.17 g/mol
Exact Mass327.00
IUPAC Name6-bromo-2-pyridin-3-ylquinoline-4-carboxamide
SMILESNC(=O)c1cc(-c2cccnc2)nc2ccc(Br)cc12
InChIInChI=1S/C15H10BrN3O/c16-10-3-4-13-11(6-10)12(15(17)20)7-14(19-13)9-2-1-5-18-8-9/h1-8H,(H2,17,20)
InChIKeyKKJAVDQOFPKKMM-UHFFFAOYSA-N
XLogP3.16
TPSA68.87 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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-2-pyridin-3-ylquinoline-4-carboxamide (CID 899135) is 6-bromo-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-2-pyridin-3-ylquinoline-4-carboxamide is NC(=O)c1cc(-c2cccnc2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is KKJAVDQOFPKKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O/c16-10-3-4-13-11(6-10)12(15(17)20)7-14(19-13)9-2-1-5-18-8-9/h1-8H,(H2,17,20).
What are the key properties of 6-bromo-2-pyridin-3-ylquinoline-4-carboxamide?
6-bromo-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 328.17 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 899135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).