N-[2-(2-bromoethyl)pentyl]quinoline-5-carboxamide

C17H21BrN2O — CID 106118002

IUPACN-[2-(2-bromoethyl)pentyl]quinoline-5-carboxamide
SMILESCCCC(CCBr)CNC(=O)c1cccc2ncccc12
InChIInChI=1S/C17H21BrN2O/c1-2-5-13(9-10-18)12-20-17(21)15-6-3-8-16-14(15)7-4-11-19-16/h3-4,6-8,11,13H,2,5,9-10,12H2,1H3,(H,20,21)
InChIKeyRHHBVMULTZNACV-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.17
Rot. Bonds7

About N-[2-(2-bromoethyl)pentyl]quinoline-5-carboxamide

N-[2-(2-bromoethyl)pentyl]quinoline-5-carboxamide (PubChem CID 106118002) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is N-[2-(2-bromoethyl)pentyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromoethyl)pentyl]quinoline-5-carboxamide
PubChem CID106118002
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC NameN-[2-(2-bromoethyl)pentyl]quinoline-5-carboxamide
SMILESCCCC(CCBr)CNC(=O)c1cccc2ncccc12
InChIInChI=1S/C17H21BrN2O/c1-2-5-13(9-10-18)12-20-17(21)15-6-3-8-16-14(15)7-4-11-19-16/h3-4,6-8,11,13H,2,5,9-10,12H2,1H3,(H,20,21)
InChIKeyRHHBVMULTZNACV-UHFFFAOYSA-N
XLogP4.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-diethoxyethyl)quinoline-5-carboxamide
CID 79538723
N-(2-bromopentyl)quinoline-4-carboxamide
CID 113496524
2-bromo-N-[2-(2-bromoethyl)pentyl]-3-fluorobenzamide
CID 114145812
N-(3-bromo-2,2-dimethylpropyl)quinoline-5-carboxamide
CID 115364916
N-[2-(2-bromoethyl)pentyl]-2,6-difluorobenzamide
CID 106117950
N-(2-amino-2-cyclopropylethyl)quinoline-5-carboxamide;dihydrochloride
CID 75420130
1-ethyl-3-(quinoline-5-carbonylamino)urea
CID 75417515
N-(4-hydroxypentyl)quinoline-5-carboxamide
CID 107300441
N-(2-bromobutyl)quinoline-4-carboxamide
CID 113492901
N-(2-bromoethyl)-N-propan-2-ylquinoline-5-carboxamide
CID 80666191
N-[2-(2-bromoethyl)pentyl]-2-fluoro-6-hydroxybenzamide
CID 106117986
N-(3-methoxypropyl)quinoline-5-carboxamide
CID 51075711

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethyl)pentyl]quinoline-5-carboxamide?
The IUPAC name of N-[2-(2-bromoethyl)pentyl]quinoline-5-carboxamide (CID 106118002) is N-[2-(2-bromoethyl)pentyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[2-(2-bromoethyl)pentyl]quinoline-5-carboxamide?
The canonical SMILES for N-[2-(2-bromoethyl)pentyl]quinoline-5-carboxamide is CCCC(CCBr)CNC(=O)c1cccc2ncccc12.
What is the InChIKey of N-[2-(2-bromoethyl)pentyl]quinoline-5-carboxamide?
The InChIKey is RHHBVMULTZNACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-2-5-13(9-10-18)12-20-17(21)15-6-3-8-16-14(15)7-4-11-19-16/h3-4,6-8,11,13H,2,5,9-10,12H2,1H3,(H,20,21).
What are the key properties of N-[2-(2-bromoethyl)pentyl]quinoline-5-carboxamide?
N-[2-(2-bromoethyl)pentyl]quinoline-5-carboxamide has a molecular weight of 349.27 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethyl)pentyl]quinoline-5-carboxamide is sourced from PubChem (CID 106118002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).