6-bromo-2-(4-methylphenyl)-N-pyridin-3-ylquinoline-4-carboxamide

C22H16BrN3O — CID 2220526

IUPAC6-bromo-2-(4-methylphenyl)-N-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cccnc3)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C22H16BrN3O/c1-14-4-6-15(7-5-14)21-12-19(18-11-16(23)8-9-20(18)26-21)22(27)25-17-3-2-10-24-13-17/h2-13H,1H3,(H,25,27)
InChIKeyMWJSPLARDCGVLH-UHFFFAOYSA-N
MW418.29 g/mol
LogP5.62
Rot. Bonds3

About 6-bromo-2-(4-methylphenyl)-N-pyridin-3-ylquinoline-4-carboxamide

6-bromo-2-(4-methylphenyl)-N-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 2220526) has the molecular formula C22H16BrN3O and a molecular weight of 418.29 g/mol. Its IUPAC name is 6-bromo-2-(4-methylphenyl)-N-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-2-(4-methylphenyl)-N-pyridin-3-ylquinoline-4-carboxamide
PubChem CID2220526
Molecular FormulaC22H16BrN3O
Molecular Weight418.29 g/mol
Exact Mass417.05
IUPAC Name6-bromo-2-(4-methylphenyl)-N-pyridin-3-ylquinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cccnc3)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C22H16BrN3O/c1-14-4-6-15(7-5-14)21-12-19(18-11-16(23)8-9-20(18)26-21)22(27)25-17-3-2-10-24-13-17/h2-13H,1H3,(H,25,27)
InChIKeyMWJSPLARDCGVLH-UHFFFAOYSA-N
XLogP5.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.29
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 1860395
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CID 4375060
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CID 44450313
CID 44450313
CID 44450322
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CID 44450336
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CID 44450347
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CID 9801260
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CID 57873499
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CID 2803005
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CID 831408
CID 831408

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-methylphenyl)-N-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-2-(4-methylphenyl)-N-pyridin-3-ylquinoline-4-carboxamide (CID 2220526) is 6-bromo-2-(4-methylphenyl)-N-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-2-(4-methylphenyl)-N-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-2-(4-methylphenyl)-N-pyridin-3-ylquinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cccnc3)c3cc(Br)ccc3n2)cc1.
What is the InChIKey of 6-bromo-2-(4-methylphenyl)-N-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is MWJSPLARDCGVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN3O/c1-14-4-6-15(7-5-14)21-12-19(18-11-16(23)8-9-20(18)26-21)22(27)25-17-3-2-10-24-13-17/h2-13H,1H3,(H,25,27).
What are the key properties of 6-bromo-2-(4-methylphenyl)-N-pyridin-3-ylquinoline-4-carboxamide?
6-bromo-2-(4-methylphenyl)-N-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 418.29 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-methylphenyl)-N-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 2220526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).