N-[[1-(2-fluorophenyl)-7-iodo-4-oxoquinolin-3-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide

C26H22FIN4O3 — CID 118601546

IUPACN-[[1-(2-fluorophenyl)-7-iodo-4-oxoquinolin-3-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2F)c2cc(I)ccc2c1=O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C26H22FIN4O3/c27-21-3-1-2-4-22(21)32-16-18(25(33)20-7-6-19(28)13-23(20)32)15-30-26(34)17-5-8-24(29-14-17)31-9-11-35-12-10-31/h1-8,13-14,16H,9-12,15H2,(H,30,34)
InChIKeyVESYIVYHVKLMRN-UHFFFAOYSA-N
MW584.39 g/mol
LogP3.90
Rot. Bonds5

About N-[[1-(2-fluorophenyl)-7-iodo-4-oxoquinolin-3-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide

N-[[1-(2-fluorophenyl)-7-iodo-4-oxoquinolin-3-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 118601546) has the molecular formula C26H22FIN4O3 and a molecular weight of 584.39 g/mol. Its IUPAC name is N-[[1-(2-fluorophenyl)-7-iodo-4-oxoquinolin-3-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-fluorophenyl)-7-iodo-4-oxoquinolin-3-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID118601546
Molecular FormulaC26H22FIN4O3
Molecular Weight584.39 g/mol
Exact Mass584.07
IUPAC NameN-[[1-(2-fluorophenyl)-7-iodo-4-oxoquinolin-3-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2F)c2cc(I)ccc2c1=O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C26H22FIN4O3/c27-21-3-1-2-4-22(21)32-16-18(25(33)20-7-6-19(28)13-23(20)32)15-30-26(34)17-5-8-24(29-14-17)31-9-11-35-12-10-31/h1-8,13-14,16H,9-12,15H2,(H,30,34)
InChIKeyVESYIVYHVKLMRN-UHFFFAOYSA-N
XLogP3.90
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 71208807
N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-(4-methylsulfonylpiperidin-1-yl)pyridine-3-carboxamide
CID 71217358
N-[[7-fluoro-1-(2-fluorophenyl)-4-oxoquinolin-3-yl]methyl]-2-thiomorpholin-4-ylpyridine-3-carboxamide
CID 71212777
N-benzyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109155589
N-[(1,3-diphenylpyrazol-4-yl)methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 24606874
6-(4-aminopiperidin-1-yl)pyridine-3-carboxylic acid;N-[(7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide
CID 159189130
N-(4-iodophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17489612
6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 18142338
N-[[4-(difluoromethyl)phenyl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 166216056
[7-chloro-3-[[(6-morpholin-4-ylpyridine-3-carbonyl)amino]methyl]-4-oxo-1-phenylquinolin-2-yl] N,N-dimethylcarbamate
CID 118597235
ethyl 4-[5-[(2-fluorophenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 109156537
6-morpholin-4-yl-N-([1,3]oxazolo[4,5-b]pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 146041738

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluorophenyl)-7-iodo-4-oxoquinolin-3-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[[1-(2-fluorophenyl)-7-iodo-4-oxoquinolin-3-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide (CID 118601546) is N-[[1-(2-fluorophenyl)-7-iodo-4-oxoquinolin-3-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(2-fluorophenyl)-7-iodo-4-oxoquinolin-3-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[[1-(2-fluorophenyl)-7-iodo-4-oxoquinolin-3-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide is O=C(NCc1cn(-c2ccccc2F)c2cc(I)ccc2c1=O)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-[[1-(2-fluorophenyl)-7-iodo-4-oxoquinolin-3-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is VESYIVYHVKLMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FIN4O3/c27-21-3-1-2-4-22(21)32-16-18(25(33)20-7-6-19(28)13-23(20)32)15-30-26(34)17-5-8-24(29-14-17)31-9-11-35-12-10-31/h1-8,13-14,16H,9-12,15H2,(H,30,34).
What are the key properties of N-[[1-(2-fluorophenyl)-7-iodo-4-oxoquinolin-3-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide?
N-[[1-(2-fluorophenyl)-7-iodo-4-oxoquinolin-3-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 584.39 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluorophenyl)-7-iodo-4-oxoquinolin-3-yl]methyl]-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 118601546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).