2-(3-bromophenyl)-N-pyridin-3-ylquinoline-4-carboxamide

C21H14BrN3O — CID 1290197

IUPAC2-(3-bromophenyl)-N-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C21H14BrN3O/c22-15-6-3-5-14(11-15)20-12-18(17-8-1-2-9-19(17)25-20)21(26)24-16-7-4-10-23-13-16/h1-13H,(H,24,26)
InChIKeyHQQUVIBABMLHRE-UHFFFAOYSA-N
MW404.27 g/mol
LogP5.31
Rot. Bonds3

About 2-(3-bromophenyl)-N-pyridin-3-ylquinoline-4-carboxamide

2-(3-bromophenyl)-N-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 1290197) has the molecular formula C21H14BrN3O and a molecular weight of 404.27 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-pyridin-3-ylquinoline-4-carboxamide
PubChem CID1290197
Molecular FormulaC21H14BrN3O
Molecular Weight404.27 g/mol
Exact Mass403.03
IUPAC Name2-(3-bromophenyl)-N-pyridin-3-ylquinoline-4-carboxamide
SMILESO=C(Nc1cccnc1)c1cc(-c2cccc(Br)c2)nc2ccccc12
InChIInChI=1S/C21H14BrN3O/c22-15-6-3-5-14(11-15)20-12-18(17-8-1-2-9-19(17)25-20)21(26)24-16-7-4-10-23-13-16/h1-13H,(H,24,26)
InChIKeyHQQUVIBABMLHRE-UHFFFAOYSA-N
XLogP5.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.27
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 2-(3-bromophenyl)-N-pyridin-3-ylquinoline-4-carboxamide (CID 1290197) is 2-(3-bromophenyl)-N-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(3-bromophenyl)-N-pyridin-3-ylquinoline-4-carboxamide is O=C(Nc1cccnc1)c1cc(-c2cccc(Br)c2)nc2ccccc12.
What is the InChIKey of 2-(3-bromophenyl)-N-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is HQQUVIBABMLHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrN3O/c22-15-6-3-5-14(11-15)20-12-18(17-8-1-2-9-19(17)25-20)21(26)24-16-7-4-10-23-13-16/h1-13H,(H,24,26).
What are the key properties of 2-(3-bromophenyl)-N-pyridin-3-ylquinoline-4-carboxamide?
2-(3-bromophenyl)-N-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 404.27 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 1290197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).