N-[1-(4-bromophenyl)ethyl]quinoline-8-carboxamide

C18H15BrN2O — CID 134028939

IUPACN-[1-(4-bromophenyl)ethyl]quinoline-8-carboxamide
SMILESCC(NC(=O)c1cccc2cccnc12)c1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2O/c1-12(13-7-9-15(19)10-8-13)21-18(22)16-6-2-4-14-5-3-11-20-17(14)16/h2-12H,1H3,(H,21,22)
InChIKeyWDXCRKMDJULWHN-UHFFFAOYSA-N
MW355.24 g/mol
LogP4.49
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]quinoline-8-carboxamide

N-[1-(4-bromophenyl)ethyl]quinoline-8-carboxamide (PubChem CID 134028939) has the molecular formula C18H15BrN2O and a molecular weight of 355.24 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]quinoline-8-carboxamide
PubChem CID134028939
Molecular FormulaC18H15BrN2O
Molecular Weight355.24 g/mol
Exact Mass354.04
IUPAC NameN-[1-(4-bromophenyl)ethyl]quinoline-8-carboxamide
SMILESCC(NC(=O)c1cccc2cccnc12)c1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2O/c1-12(13-7-9-15(19)10-8-13)21-18(22)16-6-2-4-14-5-3-11-20-17(14)16/h2-12H,1H3,(H,21,22)
InChIKeyWDXCRKMDJULWHN-UHFFFAOYSA-N
XLogP4.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylethyl)quinoline-8-carboxamide
CID 51180563
2-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 81357236
N-(4-bromobutan-2-yl)quinoline-8-carboxamide
CID 83178653
2-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]benzoic acid
CID 81356390
N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 80718780
N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]quinoline-8-carboxamide
CID 136581170
N-[1-(4-bromophenyl)ethyl]-2-iodobenzamide
CID 42906427
N-[(1S)-1-(4-bromophenyl)ethyl]-2-iodo-3-methylbenzamide
CID 39708887
N-[1-(4-bromophenyl)ethyl]isoquinoline-4-carboxamide
CID 87023885
N-[1-(4-bromophenyl)ethyl]-7-fluoroquinoxaline-5-carboxamide
CID 112844431
2-chloro-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide
CID 17328691
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-chlorobenzamide
CID 107868800

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]quinoline-8-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]quinoline-8-carboxamide (CID 134028939) is N-[1-(4-bromophenyl)ethyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]quinoline-8-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]quinoline-8-carboxamide is CC(NC(=O)c1cccc2cccnc12)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]quinoline-8-carboxamide?
The InChIKey is WDXCRKMDJULWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O/c1-12(13-7-9-15(19)10-8-13)21-18(22)16-6-2-4-14-5-3-11-20-17(14)16/h2-12H,1H3,(H,21,22).
What are the key properties of N-[1-(4-bromophenyl)ethyl]quinoline-8-carboxamide?
N-[1-(4-bromophenyl)ethyl]quinoline-8-carboxamide has a molecular weight of 355.24 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]quinoline-8-carboxamide is sourced from PubChem (CID 134028939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).