[5-iodo-2-(quinoline-2-carbonylamino)phenyl]methyl acetate

C19H15IN2O3 — CID 72723273

IUPAC[5-iodo-2-(quinoline-2-carbonylamino)phenyl]methyl acetate
SMILESCC(=O)OCc1cc(I)ccc1NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C19H15IN2O3/c1-12(23)25-11-14-10-15(20)7-9-17(14)22-19(24)18-8-6-13-4-2-3-5-16(13)21-18/h2-10H,11H2,1H3,(H,22,24)
InChIKeyWEDMECDPOLJXCZ-UHFFFAOYSA-N
MW446.24 g/mol
LogP4.15
Rot. Bonds4

About [5-iodo-2-(quinoline-2-carbonylamino)phenyl]methyl acetate

[5-iodo-2-(quinoline-2-carbonylamino)phenyl]methyl acetate (PubChem CID 72723273) has the molecular formula C19H15IN2O3 and a molecular weight of 446.24 g/mol. Its IUPAC name is [5-iodo-2-(quinoline-2-carbonylamino)phenyl]methyl acetate.

Molecular Properties

Compound Name[5-iodo-2-(quinoline-2-carbonylamino)phenyl]methyl acetate
PubChem CID72723273
Molecular FormulaC19H15IN2O3
Molecular Weight446.24 g/mol
Exact Mass446.01
IUPAC Name[5-iodo-2-(quinoline-2-carbonylamino)phenyl]methyl acetate
SMILESCC(=O)OCc1cc(I)ccc1NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C19H15IN2O3/c1-12(23)25-11-14-10-15(20)7-9-17(14)22-19(24)18-8-6-13-4-2-3-5-16(13)21-18/h2-10H,11H2,1H3,(H,22,24)
InChIKeyWEDMECDPOLJXCZ-UHFFFAOYSA-N
XLogP4.15
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(hydroxymethyl)phenyl]quinoline-2-carboxamide
CID 60653534
N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide
CID 91594053
N-(2-chlorophenyl)quinoline-2-carboxamide
CID 878226
N-(4-chloro-2-iodophenyl)quinoline-2-carboxamide
CID 107640561
N-(5-chloro-2-methoxyphenyl)quinoline-2-carboxamide
CID 2111763
N-(2-methoxyethoxy)quinoline-2-carboxamide
CID 79676009
N-(3-hydroxy-2-methylphenyl)quinoline-2-carboxamide
CID 64794719
N-(4-acetyl-3-methylphenyl)quinoline-2-carboxamide;methane
CID 161338496
N-phenylmethoxyquinoline-2-carboxamide
CID 9227229
N-(5-chloro-2-hydroxyphenyl)quinoline-2-carboxamide
CID 55369875
N-(2-bromo-3-chlorophenyl)quinoline-2-carboxamide
CID 103480047
N-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide
CID 82724716

Frequently Asked Questions

What is the IUPAC name of [5-iodo-2-(quinoline-2-carbonylamino)phenyl]methyl acetate?
The IUPAC name of [5-iodo-2-(quinoline-2-carbonylamino)phenyl]methyl acetate (CID 72723273) is [5-iodo-2-(quinoline-2-carbonylamino)phenyl]methyl acetate.
What is the SMILES notation for [5-iodo-2-(quinoline-2-carbonylamino)phenyl]methyl acetate?
The canonical SMILES for [5-iodo-2-(quinoline-2-carbonylamino)phenyl]methyl acetate is CC(=O)OCc1cc(I)ccc1NC(=O)c1ccc2ccccc2n1.
What is the InChIKey of [5-iodo-2-(quinoline-2-carbonylamino)phenyl]methyl acetate?
The InChIKey is WEDMECDPOLJXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15IN2O3/c1-12(23)25-11-14-10-15(20)7-9-17(14)22-19(24)18-8-6-13-4-2-3-5-16(13)21-18/h2-10H,11H2,1H3,(H,22,24).
What are the key properties of [5-iodo-2-(quinoline-2-carbonylamino)phenyl]methyl acetate?
[5-iodo-2-(quinoline-2-carbonylamino)phenyl]methyl acetate has a molecular weight of 446.24 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-iodo-2-(quinoline-2-carbonylamino)phenyl]methyl acetate is sourced from PubChem (CID 72723273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).