2-di(propan-2-yloxy)phosphoryl-5-iodo-N-quinolin-8-ylbenzamide

C22H24IN2O4P — CID 166443425

IUPAC2-di(propan-2-yloxy)phosphoryl-5-iodo-N-quinolin-8-ylbenzamide
SMILESCC(C)OP(=O)(OC(C)C)c1ccc(I)cc1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C22H24IN2O4P/c1-14(2)28-30(27,29-15(3)4)20-11-10-17(23)13-18(20)22(26)25-19-9-5-7-16-8-6-12-24-21(16)19/h5-15H,1-4H3,(H,25,26)
InChIKeyHPHCOXBYVAHMNG-UHFFFAOYSA-N
MW538.32 g/mol
LogP5.76
Rot. Bonds7

About 2-di(propan-2-yloxy)phosphoryl-5-iodo-N-quinolin-8-ylbenzamide

2-di(propan-2-yloxy)phosphoryl-5-iodo-N-quinolin-8-ylbenzamide (PubChem CID 166443425) has the molecular formula C22H24IN2O4P and a molecular weight of 538.32 g/mol. Its IUPAC name is 2-di(propan-2-yloxy)phosphoryl-5-iodo-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name2-di(propan-2-yloxy)phosphoryl-5-iodo-N-quinolin-8-ylbenzamide
PubChem CID166443425
Molecular FormulaC22H24IN2O4P
Molecular Weight538.32 g/mol
Exact Mass538.05
IUPAC Name2-di(propan-2-yloxy)phosphoryl-5-iodo-N-quinolin-8-ylbenzamide
SMILESCC(C)OP(=O)(OC(C)C)c1ccc(I)cc1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C22H24IN2O4P/c1-14(2)28-30(27,29-15(3)4)20-11-10-17(23)13-18(20)22(26)25-19-9-5-7-16-8-6-12-24-21(16)19/h5-15H,1-4H3,(H,25,26)
InChIKeyHPHCOXBYVAHMNG-UHFFFAOYSA-N
XLogP5.76
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.32
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-quinolin-8-ylnaphthalene-2-carboxamide
CID 952605
5-propan-2-yl-N-quinolin-8-yl-1,2-oxazole-3-carboxamide
CID 75538115
[(E)-3-[5-iodo-2-(quinolin-8-ylcarbamoyl)phenyl]prop-2-enyl] acetate
CID 132507500
5-chloro-2-fluoro-N-quinolin-8-ylbenzamide
CID 17416993
2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide
CID 132522019
5-propan-2-yl-N-quinolin-8-yl-1H-pyrazole-3-carboxamide
CID 110863444
1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide
CID 110691327
5-bromo-2-fluoro-N-quinolin-8-ylbenzamide
CID 24710942
4-(3-methylbutylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109217470
4-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846864
3-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846762
2-chloro-N-quinolin-8-ylfuran-3-carboxamide
CID 106685180

Frequently Asked Questions

What is the IUPAC name of 2-di(propan-2-yloxy)phosphoryl-5-iodo-N-quinolin-8-ylbenzamide?
The IUPAC name of 2-di(propan-2-yloxy)phosphoryl-5-iodo-N-quinolin-8-ylbenzamide (CID 166443425) is 2-di(propan-2-yloxy)phosphoryl-5-iodo-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 2-di(propan-2-yloxy)phosphoryl-5-iodo-N-quinolin-8-ylbenzamide?
The canonical SMILES for 2-di(propan-2-yloxy)phosphoryl-5-iodo-N-quinolin-8-ylbenzamide is CC(C)OP(=O)(OC(C)C)c1ccc(I)cc1C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 2-di(propan-2-yloxy)phosphoryl-5-iodo-N-quinolin-8-ylbenzamide?
The InChIKey is HPHCOXBYVAHMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24IN2O4P/c1-14(2)28-30(27,29-15(3)4)20-11-10-17(23)13-18(20)22(26)25-19-9-5-7-16-8-6-12-24-21(16)19/h5-15H,1-4H3,(H,25,26).
What are the key properties of 2-di(propan-2-yloxy)phosphoryl-5-iodo-N-quinolin-8-ylbenzamide?
2-di(propan-2-yloxy)phosphoryl-5-iodo-N-quinolin-8-ylbenzamide has a molecular weight of 538.32 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-di(propan-2-yloxy)phosphoryl-5-iodo-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 166443425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).