N-(4-bromobutan-2-yl)quinoline-8-carboxamide

C14H15BrN2O — CID 83178653

IUPACN-(4-bromobutan-2-yl)quinoline-8-carboxamide
SMILESCC(CCBr)NC(=O)c1cccc2cccnc12
InChIInChI=1S/C14H15BrN2O/c1-10(7-8-15)17-14(18)12-6-2-4-11-5-3-9-16-13(11)12/h2-6,9-10H,7-8H2,1H3,(H,17,18)
InChIKeyKFDAZIDXTCEVHG-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.14
Rot. Bonds4

About N-(4-bromobutan-2-yl)quinoline-8-carboxamide

N-(4-bromobutan-2-yl)quinoline-8-carboxamide (PubChem CID 83178653) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is N-(4-bromobutan-2-yl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(4-bromobutan-2-yl)quinoline-8-carboxamide
PubChem CID83178653
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC NameN-(4-bromobutan-2-yl)quinoline-8-carboxamide
SMILESCC(CCBr)NC(=O)c1cccc2cccnc12
InChIInChI=1S/C14H15BrN2O/c1-10(7-8-15)17-14(18)12-6-2-4-11-5-3-9-16-13(11)12/h2-6,9-10H,7-8H2,1H3,(H,17,18)
InChIKeyKFDAZIDXTCEVHG-UHFFFAOYSA-N
XLogP3.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.14
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-(1-phenylethyl)quinoline-8-carboxamide
CID 51180563
N-[1-(4-bromophenyl)ethyl]quinoline-8-carboxamide
CID 134028939
N-[2-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
CID 120829987
N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]quinoline-8-carboxamide
CID 136581170
N-(3-bromopropyl)-N-propan-2-ylquinoline-8-carboxamide
CID 80662580
N-(4-chloro-1-methoxybutan-2-yl)quinoline-8-carboxamide
CID 106155330
N-(4-bromobutan-2-yl)-2-fluoro-3-methylbenzamide
CID 83179699
N-[6-(aminosulfanylamino)hexan-2-yl]quinoline-8-carboxamide;N-quinolin-8-ylformamide
CID 143592817
N-(2-hydroxy-2-methylpropyl)quinoline-8-carboxamide
CID 65109650
N-(5-bromopentan-2-yl)naphthalene-1-carboxamide
CID 113276035
N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
N-(4-aminobutan-2-yl)quinoxaline-5-carboxamide
CID 104613993

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutan-2-yl)quinoline-8-carboxamide?
The IUPAC name of N-(4-bromobutan-2-yl)quinoline-8-carboxamide (CID 83178653) is N-(4-bromobutan-2-yl)quinoline-8-carboxamide.
What is the SMILES notation for N-(4-bromobutan-2-yl)quinoline-8-carboxamide?
The canonical SMILES for N-(4-bromobutan-2-yl)quinoline-8-carboxamide is CC(CCBr)NC(=O)c1cccc2cccnc12.
What is the InChIKey of N-(4-bromobutan-2-yl)quinoline-8-carboxamide?
The InChIKey is KFDAZIDXTCEVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10(7-8-15)17-14(18)12-6-2-4-11-5-3-9-16-13(11)12/h2-6,9-10H,7-8H2,1H3,(H,17,18).
What are the key properties of N-(4-bromobutan-2-yl)quinoline-8-carboxamide?
N-(4-bromobutan-2-yl)quinoline-8-carboxamide has a molecular weight of 307.19 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutan-2-yl)quinoline-8-carboxamide is sourced from PubChem (CID 83178653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).