6-bromo-3-methyl-2-phenyl-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide

C24H20BrN3O — CID 162644141

IUPAC6-bromo-3-methyl-2-phenyl-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide
SMILESCc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCCc1ccccn1
InChIInChI=1S/C24H20BrN3O/c1-16-22(24(29)27-14-12-19-9-5-6-13-26-19)20-15-18(25)10-11-21(20)28-23(16)17-7-3-2-4-8-17/h2-11,13,15H,12,14H2,1H3,(H,27,29)
InChIKeyCZDWSTNONBAKEY-UHFFFAOYSA-N
MW446.35 g/mol
LogP5.34
Rot. Bonds5

About 6-bromo-3-methyl-2-phenyl-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide

6-bromo-3-methyl-2-phenyl-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide (PubChem CID 162644141) has the molecular formula C24H20BrN3O and a molecular weight of 446.35 g/mol. Its IUPAC name is 6-bromo-3-methyl-2-phenyl-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-3-methyl-2-phenyl-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide
PubChem CID162644141
Molecular FormulaC24H20BrN3O
Molecular Weight446.35 g/mol
Exact Mass445.08
IUPAC Name6-bromo-3-methyl-2-phenyl-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide
SMILESCc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCCc1ccccn1
InChIInChI=1S/C24H20BrN3O/c1-16-22(24(29)27-14-12-19-9-5-6-13-26-19)20-15-18(25)10-11-21(20)28-23(16)17-7-3-2-4-8-17/h2-11,13,15H,12,14H2,1H3,(H,27,29)
InChIKeyCZDWSTNONBAKEY-UHFFFAOYSA-N
XLogP5.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.35
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-2-phenyl-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 6-bromo-3-methyl-2-phenyl-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide (CID 162644141) is 6-bromo-3-methyl-2-phenyl-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-3-methyl-2-phenyl-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 6-bromo-3-methyl-2-phenyl-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide is Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NCCc1ccccn1.
What is the InChIKey of 6-bromo-3-methyl-2-phenyl-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide?
The InChIKey is CZDWSTNONBAKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN3O/c1-16-22(24(29)27-14-12-19-9-5-6-13-26-19)20-15-18(25)10-11-21(20)28-23(16)17-7-3-2-4-8-17/h2-11,13,15H,12,14H2,1H3,(H,27,29).
What are the key properties of 6-bromo-3-methyl-2-phenyl-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide?
6-bromo-3-methyl-2-phenyl-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide has a molecular weight of 446.35 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-2-phenyl-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 162644141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).