N-(4-iodo-2-methylphenyl)quinoline-4-carboxamide

C17H13IN2O — CID 134008388

IUPACN-(4-iodo-2-methylphenyl)quinoline-4-carboxamide
SMILESCc1cc(I)ccc1NC(=O)c1ccnc2ccccc12
InChIInChI=1S/C17H13IN2O/c1-11-10-12(18)6-7-15(11)20-17(21)14-8-9-19-16-5-3-2-4-13(14)16/h2-10H,1H3,(H,20,21)
InChIKeyVHKZBDYASOOBKI-UHFFFAOYSA-N
MW388.21 g/mol
LogP4.40
Rot. Bonds2

About N-(4-iodo-2-methylphenyl)quinoline-4-carboxamide

N-(4-iodo-2-methylphenyl)quinoline-4-carboxamide (PubChem CID 134008388) has the molecular formula C17H13IN2O and a molecular weight of 388.21 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)quinoline-4-carboxamide
PubChem CID134008388
Molecular FormulaC17H13IN2O
Molecular Weight388.21 g/mol
Exact Mass388.01
IUPAC NameN-(4-iodo-2-methylphenyl)quinoline-4-carboxamide
SMILESCc1cc(I)ccc1NC(=O)c1ccnc2ccccc12
InChIInChI=1S/C17H13IN2O/c1-11-10-12(18)6-7-15(11)20-17(21)14-8-9-19-16-5-3-2-4-13(14)16/h2-10H,1H3,(H,20,21)
InChIKeyVHKZBDYASOOBKI-UHFFFAOYSA-N
XLogP4.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide
CID 78814142
N-(2-bromo-5-methylphenyl)quinoline-4-carboxamide
CID 82712316
N-(2-amino-4-hydroxyphenyl)quinoline-4-carboxamide
CID 107697606
N-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2340923
N-(4-bromo-3-methylphenyl)quinoline-4-carboxamide
CID 78911729
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]quinoline-4-carboxamide
CID 78812993
N-(2-phenylphenyl)quinoline-4-carboxamide
CID 142724043
N-[2-(chloromethyl)phenyl]quinoline-4-carboxamide
CID 114298272
methyl 2,4-difluoro-5-(quinoline-4-carbonylamino)benzoate
CID 78845060
N-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 78813029
4-chloro-N-(4-iodo-2-methylphenyl)pyridine-2-carboxamide
CID 60656369
2-hydroxy-5-iodo-N-(4-iodo-2-methylphenyl)benzamide
CID 86251688

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)quinoline-4-carboxamide (CID 134008388) is N-(4-iodo-2-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)quinoline-4-carboxamide is Cc1cc(I)ccc1NC(=O)c1ccnc2ccccc12.
What is the InChIKey of N-(4-iodo-2-methylphenyl)quinoline-4-carboxamide?
The InChIKey is VHKZBDYASOOBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13IN2O/c1-11-10-12(18)6-7-15(11)20-17(21)14-8-9-19-16-5-3-2-4-13(14)16/h2-10H,1H3,(H,20,21).
What are the key properties of N-(4-iodo-2-methylphenyl)quinoline-4-carboxamide?
N-(4-iodo-2-methylphenyl)quinoline-4-carboxamide has a molecular weight of 388.21 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 134008388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).