N-(4-chloro-2-iodophenyl)quinoline-2-carboxamide

C16H10ClIN2O — CID 107640561

IUPACN-(4-chloro-2-iodophenyl)quinoline-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1ccc2ccccc2n1
InChIInChI=1S/C16H10ClIN2O/c17-11-6-8-14(12(18)9-11)20-16(21)15-7-5-10-3-1-2-4-13(10)19-15/h1-9H,(H,20,21)
InChIKeyHYFJVMNOHFACSY-UHFFFAOYSA-N
MW408.63 g/mol
LogP4.75
Rot. Bonds2

About N-(4-chloro-2-iodophenyl)quinoline-2-carboxamide

N-(4-chloro-2-iodophenyl)quinoline-2-carboxamide (PubChem CID 107640561) has the molecular formula C16H10ClIN2O and a molecular weight of 408.63 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)quinoline-2-carboxamide
PubChem CID107640561
Molecular FormulaC16H10ClIN2O
Molecular Weight408.63 g/mol
Exact Mass407.95
IUPAC NameN-(4-chloro-2-iodophenyl)quinoline-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1I)c1ccc2ccccc2n1
InChIInChI=1S/C16H10ClIN2O/c17-11-6-8-14(12(18)9-11)20-16(21)15-7-5-10-3-1-2-4-13(10)19-15/h1-9H,(H,20,21)
InChIKeyHYFJVMNOHFACSY-UHFFFAOYSA-N
XLogP4.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.63
LogP ≤ 54.75
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-(5-chloro-2-hydroxyphenyl)quinoline-2-carboxamide
CID 55369875
N-(4-chloro-2-iodophenyl)quinoxaline-2-carboxamide
CID 75380970
N-(5-chloro-2-methoxyphenyl)quinoline-2-carboxamide
CID 2111763
N-(2-chlorophenyl)quinoline-2-carboxamide
CID 878226
6-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide
CID 107631403
N'-(5-chloro-2-fluorobenzoyl)quinoline-2-carbohydrazide
CID 35065860
N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide
CID 91594053
N-[8-(4-chlorophenyl)naphthalen-1-yl]quinoline-2-carboxamide
CID 71659919
N-(2-bromo-3-chlorophenyl)quinoline-2-carboxamide
CID 103480047
N-[(2,4-dichlorophenyl)methyl]quinoline-2-carboxamide
CID 2707271
N-(5-bromo-2-chloro-3-pyridinyl)quinoline-2-carboxamide
CID 102979115
N-[2-(hydroxymethyl)phenyl]quinoline-2-carboxamide
CID 60653534

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)quinoline-2-carboxamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)quinoline-2-carboxamide (CID 107640561) is N-(4-chloro-2-iodophenyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)quinoline-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)quinoline-2-carboxamide is O=C(Nc1ccc(Cl)cc1I)c1ccc2ccccc2n1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)quinoline-2-carboxamide?
The InChIKey is HYFJVMNOHFACSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClIN2O/c17-11-6-8-14(12(18)9-11)20-16(21)15-7-5-10-3-1-2-4-13(10)19-15/h1-9H,(H,20,21).
What are the key properties of N-(4-chloro-2-iodophenyl)quinoline-2-carboxamide?
N-(4-chloro-2-iodophenyl)quinoline-2-carboxamide has a molecular weight of 408.63 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)quinoline-2-carboxamide is sourced from PubChem (CID 107640561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).