6-bromo-3-methyl-2-phenyl-N-(1-pyridin-2-ylpropan-2-yl)quinoline-4-carboxamide

C25H22BrN3O — CID 162664851

IUPAC6-bromo-3-methyl-2-phenyl-N-(1-pyridin-2-ylpropan-2-yl)quinoline-4-carboxamide
SMILESCc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NC(C)Cc1ccccn1
InChIInChI=1S/C25H22BrN3O/c1-16(14-20-10-6-7-13-27-20)28-25(30)23-17(2)24(18-8-4-3-5-9-18)29-22-12-11-19(26)15-21(22)23/h3-13,15-16H,14H2,1-2H3,(H,28,30)
InChIKeyGEKYYXDRTUEUHI-UHFFFAOYSA-N
MW460.38 g/mol
LogP5.73
Rot. Bonds5

About 6-bromo-3-methyl-2-phenyl-N-(1-pyridin-2-ylpropan-2-yl)quinoline-4-carboxamide

6-bromo-3-methyl-2-phenyl-N-(1-pyridin-2-ylpropan-2-yl)quinoline-4-carboxamide (PubChem CID 162664851) has the molecular formula C25H22BrN3O and a molecular weight of 460.38 g/mol. Its IUPAC name is 6-bromo-3-methyl-2-phenyl-N-(1-pyridin-2-ylpropan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-3-methyl-2-phenyl-N-(1-pyridin-2-ylpropan-2-yl)quinoline-4-carboxamide
PubChem CID162664851
Molecular FormulaC25H22BrN3O
Molecular Weight460.38 g/mol
Exact Mass459.09
IUPAC Name6-bromo-3-methyl-2-phenyl-N-(1-pyridin-2-ylpropan-2-yl)quinoline-4-carboxamide
SMILESCc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NC(C)Cc1ccccn1
InChIInChI=1S/C25H22BrN3O/c1-16(14-20-10-6-7-13-27-20)28-25(30)23-17(2)24(18-8-4-3-5-9-18)29-22-12-11-19(26)15-21(22)23/h3-13,15-16H,14H2,1-2H3,(H,28,30)
InChIKeyGEKYYXDRTUEUHI-UHFFFAOYSA-N
XLogP5.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.38
LogP ≤ 55.73
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-(1-pyridin-2-ylpropan-2-yl)quinoline-4-carboxamide?
The IUPAC name of 6-bromo-3-methyl-2-phenyl-N-(1-pyridin-2-ylpropan-2-yl)quinoline-4-carboxamide (CID 162664851) is 6-bromo-3-methyl-2-phenyl-N-(1-pyridin-2-ylpropan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-3-methyl-2-phenyl-N-(1-pyridin-2-ylpropan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 6-bromo-3-methyl-2-phenyl-N-(1-pyridin-2-ylpropan-2-yl)quinoline-4-carboxamide is Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)NC(C)Cc1ccccn1.
What is the InChIKey of 6-bromo-3-methyl-2-phenyl-N-(1-pyridin-2-ylpropan-2-yl)quinoline-4-carboxamide?
The InChIKey is GEKYYXDRTUEUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22BrN3O/c1-16(14-20-10-6-7-13-27-20)28-25(30)23-17(2)24(18-8-4-3-5-9-18)29-22-12-11-19(26)15-21(22)23/h3-13,15-16H,14H2,1-2H3,(H,28,30).
What are the key properties of 6-bromo-3-methyl-2-phenyl-N-(1-pyridin-2-ylpropan-2-yl)quinoline-4-carboxamide?
6-bromo-3-methyl-2-phenyl-N-(1-pyridin-2-ylpropan-2-yl)quinoline-4-carboxamide has a molecular weight of 460.38 g/mol, XLogP of 5.73, 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-(1-pyridin-2-ylpropan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 162664851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).