2-(4-bromophenyl)-N-(2-methylpropyl)quinoline-4-carboxamide

C20H19BrN2O — CID 5116892

IUPAC2-(4-bromophenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCC(C)CNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C20H19BrN2O/c1-13(2)12-22-20(24)17-11-19(14-7-9-15(21)10-8-14)23-18-6-4-3-5-16(17)18/h3-11,13H,12H2,1-2H3,(H,22,24)
InChIKeyBYZNBDUFQSKYDO-UHFFFAOYSA-N
MW383.29 g/mol
LogP5.05
Rot. Bonds4

About 2-(4-bromophenyl)-N-(2-methylpropyl)quinoline-4-carboxamide

2-(4-bromophenyl)-N-(2-methylpropyl)quinoline-4-carboxamide (PubChem CID 5116892) has the molecular formula C20H19BrN2O and a molecular weight of 383.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(2-methylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
PubChem CID5116892
Molecular FormulaC20H19BrN2O
Molecular Weight383.29 g/mol
Exact Mass382.07
IUPAC Name2-(4-bromophenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
SMILESCC(C)CNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C20H19BrN2O/c1-13(2)12-22-20(24)17-11-19(14-7-9-15(21)10-8-14)23-18-6-4-3-5-16(17)18/h3-11,13H,12H2,1-2H3,(H,22,24)
InChIKeyBYZNBDUFQSKYDO-UHFFFAOYSA-N
XLogP5.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.29
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylphenyl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3558127
N-(3-methylbutyl)-2-phenylquinoline-4-carboxamide
CID 757603
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 5141556
2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
CID 2163425
2-(4-bromophenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 4289589
2-(4-bromophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 4182040
2-(4-methoxyphenyl)-N-[(2R)-2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 2165480
2-(4-bromophenyl)-N-[2-(cyclopropanecarbonylamino)ethyl]quinoline-4-carboxamide
CID 34038513
methyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 874713
2-(5-methylfuran-2-yl)-N-(2-methylpropyl)quinoline-4-carboxamide
CID 3421567
N-(2-hydroxy-2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 42654572
N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 111428934

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(2-methylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-(2-methylpropyl)quinoline-4-carboxamide (CID 5116892) is 2-(4-bromophenyl)-N-(2-methylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(2-methylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(2-methylpropyl)quinoline-4-carboxamide is CC(C)CNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-N-(2-methylpropyl)quinoline-4-carboxamide?
The InChIKey is BYZNBDUFQSKYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O/c1-13(2)12-22-20(24)17-11-19(14-7-9-15(21)10-8-14)23-18-6-4-3-5-16(17)18/h3-11,13H,12H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-bromophenyl)-N-(2-methylpropyl)quinoline-4-carboxamide?
2-(4-bromophenyl)-N-(2-methylpropyl)quinoline-4-carboxamide has a molecular weight of 383.29 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(2-methylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 5116892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).