6-bromo-N-naphthalen-2-yl-2-pyridin-4-ylquinoline-4-carboxamide

C25H16BrN3O — CID 25179906

IUPAC6-bromo-N-naphthalen-2-yl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)c1cc(-c2ccncc2)nc2ccc(Br)cc12
InChIInChI=1S/C25H16BrN3O/c26-19-6-8-23-21(14-19)22(15-24(29-23)17-9-11-27-12-10-17)25(30)28-20-7-5-16-3-1-2-4-18(16)13-20/h1-15H,(H,28,30)
InChIKeyZSUWVJSODXFFGX-UHFFFAOYSA-N
MW454.33 g/mol
LogP6.46
Rot. Bonds3

About 6-bromo-N-naphthalen-2-yl-2-pyridin-4-ylquinoline-4-carboxamide

6-bromo-N-naphthalen-2-yl-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 25179906) has the molecular formula C25H16BrN3O and a molecular weight of 454.33 g/mol. Its IUPAC name is 6-bromo-N-naphthalen-2-yl-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-naphthalen-2-yl-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID25179906
Molecular FormulaC25H16BrN3O
Molecular Weight454.33 g/mol
Exact Mass453.05
IUPAC Name6-bromo-N-naphthalen-2-yl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc2ccccc2c1)c1cc(-c2ccncc2)nc2ccc(Br)cc12
InChIInChI=1S/C25H16BrN3O/c26-19-6-8-23-21(14-19)22(15-24(29-23)17-9-11-27-12-10-17)25(30)28-20-7-5-16-3-1-2-4-18(16)13-20/h1-15H,(H,28,30)
InChIKeyZSUWVJSODXFFGX-UHFFFAOYSA-N
XLogP6.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.33
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-naphthalen-2-yl-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-N-naphthalen-2-yl-2-pyridin-4-ylquinoline-4-carboxamide (CID 25179906) is 6-bromo-N-naphthalen-2-yl-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-N-naphthalen-2-yl-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-N-naphthalen-2-yl-2-pyridin-4-ylquinoline-4-carboxamide is O=C(Nc1ccc2ccccc2c1)c1cc(-c2ccncc2)nc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N-naphthalen-2-yl-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is ZSUWVJSODXFFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16BrN3O/c26-19-6-8-23-21(14-19)22(15-24(29-23)17-9-11-27-12-10-17)25(30)28-20-7-5-16-3-1-2-4-18(16)13-20/h1-15H,(H,28,30).
What are the key properties of 6-bromo-N-naphthalen-2-yl-2-pyridin-4-ylquinoline-4-carboxamide?
6-bromo-N-naphthalen-2-yl-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 454.33 g/mol, XLogP of 6.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-naphthalen-2-yl-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 25179906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).