N-[2-(chloromethyl)phenyl]quinoline-4-carboxamide

C17H13ClN2O — CID 114298272

IUPACN-[2-(chloromethyl)phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1ccccc1CCl)c1ccnc2ccccc12
InChIInChI=1S/C17H13ClN2O/c18-11-12-5-1-3-7-15(12)20-17(21)14-9-10-19-16-8-4-2-6-13(14)16/h1-10H,11H2,(H,20,21)
InChIKeySOWZUSDDBDYZEX-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.23
Rot. Bonds3

About N-[2-(chloromethyl)phenyl]quinoline-4-carboxamide

N-[2-(chloromethyl)phenyl]quinoline-4-carboxamide (PubChem CID 114298272) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is N-[2-(chloromethyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)phenyl]quinoline-4-carboxamide
PubChem CID114298272
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC NameN-[2-(chloromethyl)phenyl]quinoline-4-carboxamide
SMILESO=C(Nc1ccccc1CCl)c1ccnc2ccccc12
InChIInChI=1S/C17H13ClN2O/c18-11-12-5-1-3-7-15(12)20-17(21)14-9-10-19-16-8-4-2-6-13(14)16/h1-10H,11H2,(H,20,21)
InChIKeySOWZUSDDBDYZEX-UHFFFAOYSA-N
XLogP4.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.23
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-phenylphenyl)quinoline-4-carboxamide
CID 142724043
N-(2-amino-4-hydroxyphenyl)quinoline-4-carboxamide
CID 107697606
N-[2-(chloromethyl)phenyl]-1-benzothiophene-3-carboxamide
CID 114298566
N-(4-iodo-2-methylphenyl)quinoline-4-carboxamide
CID 134008388
2,4-dichloro-N-[2-(chloromethyl)phenyl]benzamide
CID 114298395
N-[2-[3-(quinolin-4-ylmethylamino)phenyl]phenyl]quinoline-4-carboxamide
CID 142723917
N-[2-chloro-5-(propanoylamino)phenyl]quinoline-4-carboxamide
CID 171686511
N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide
CID 78814142
N-(2-bromo-5-methylphenyl)quinoline-4-carboxamide
CID 82712316
N-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 78813029
N-(3-iodopropyl)quinoline-4-carboxamide
CID 114504474
4-chloro-N-[2-(chloromethyl)phenyl]-2-fluorobenzamide
CID 114298237

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of N-[2-(chloromethyl)phenyl]quinoline-4-carboxamide (CID 114298272) is N-[2-(chloromethyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(chloromethyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for N-[2-(chloromethyl)phenyl]quinoline-4-carboxamide is O=C(Nc1ccccc1CCl)c1ccnc2ccccc12.
What is the InChIKey of N-[2-(chloromethyl)phenyl]quinoline-4-carboxamide?
The InChIKey is SOWZUSDDBDYZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c18-11-12-5-1-3-7-15(12)20-17(21)14-9-10-19-16-8-4-2-6-13(14)16/h1-10H,11H2,(H,20,21).
What are the key properties of N-[2-(chloromethyl)phenyl]quinoline-4-carboxamide?
N-[2-(chloromethyl)phenyl]quinoline-4-carboxamide has a molecular weight of 296.76 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 114298272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).