N-[3-(bromomethyl)phenyl]quinoline-8-carboxamide

C17H13BrN2O — CID 114307205

IUPACN-[3-(bromomethyl)phenyl]quinoline-8-carboxamide
SMILESO=C(Nc1cccc(CBr)c1)c1cccc2cccnc12
InChIInChI=1S/C17H13BrN2O/c18-11-12-4-1-7-14(10-12)20-17(21)15-8-2-5-13-6-3-9-19-16(13)15/h1-10H,11H2,(H,20,21)
InChIKeyYBJGSNQZKIVRRV-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.38
Rot. Bonds3

About N-[3-(bromomethyl)phenyl]quinoline-8-carboxamide

N-[3-(bromomethyl)phenyl]quinoline-8-carboxamide (PubChem CID 114307205) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is N-[3-(bromomethyl)phenyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)phenyl]quinoline-8-carboxamide
PubChem CID114307205
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC NameN-[3-(bromomethyl)phenyl]quinoline-8-carboxamide
SMILESO=C(Nc1cccc(CBr)c1)c1cccc2cccnc12
InChIInChI=1S/C17H13BrN2O/c18-11-12-4-1-7-14(10-12)20-17(21)15-8-2-5-13-6-3-9-19-16(13)15/h1-10H,11H2,(H,20,21)
InChIKeyYBJGSNQZKIVRRV-UHFFFAOYSA-N
XLogP4.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.38
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-(3-methylphenyl)quinoline-8-carboxamide
CID 30267656
N-(3-acetamidophenyl)quinoline-8-carboxamide
CID 9206616
N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
N-[4-(2-methylsulfanylethyl)phenyl]quinoline-8-carboxamide
CID 154747549
N-(4-amino-3-chlorophenyl)quinoline-8-carboxamide
CID 82863638
2-bromo-N-[3-(bromomethyl)phenyl]-3-methylbenzamide
CID 114024071
2-chloro-N-[3-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 51891437
N-[4-(bromomethyl)phenyl]quinoxaline-5-carboxamide
CID 104615759
5-chloro-N-[3-(hydroxymethyl)phenyl]quinoline-8-carboxamide
CID 110910882
N-(2-bromophenyl)quinoline-8-carboxamide
CID 60651885
N-[3-(bromomethyl)phenyl]-2,5-dichlorobenzamide
CID 114307198
N-(2-phenylpyrimidin-5-yl)quinoline-8-carboxamide
CID 134009435

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)phenyl]quinoline-8-carboxamide?
The IUPAC name of N-[3-(bromomethyl)phenyl]quinoline-8-carboxamide (CID 114307205) is N-[3-(bromomethyl)phenyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[3-(bromomethyl)phenyl]quinoline-8-carboxamide?
The canonical SMILES for N-[3-(bromomethyl)phenyl]quinoline-8-carboxamide is O=C(Nc1cccc(CBr)c1)c1cccc2cccnc12.
What is the InChIKey of N-[3-(bromomethyl)phenyl]quinoline-8-carboxamide?
The InChIKey is YBJGSNQZKIVRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c18-11-12-4-1-7-14(10-12)20-17(21)15-8-2-5-13-6-3-9-19-16(13)15/h1-10H,11H2,(H,20,21).
What are the key properties of N-[3-(bromomethyl)phenyl]quinoline-8-carboxamide?
N-[3-(bromomethyl)phenyl]quinoline-8-carboxamide has a molecular weight of 341.21 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)phenyl]quinoline-8-carboxamide is sourced from PubChem (CID 114307205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).