(2-iodophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone

C22H22IN3O2 — CID 108764373

IUPAC(2-iodophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
SMILESCOc1cccc2c(C)cc(N3CCN(C(=O)c4ccccc4I)CC3)nc12
InChIInChI=1S/C22H22IN3O2/c1-15-14-20(24-21-16(15)7-5-9-19(21)28-2)25-10-12-26(13-11-25)22(27)17-6-3-4-8-18(17)23/h3-9,14H,10-13H2,1-2H3
InChIKeyFQFARJQFKHXXPT-UHFFFAOYSA-N
MW487.34 g/mol
LogP4.12
Rot. Bonds3

About (2-iodophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone

(2-iodophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone (PubChem CID 108764373) has the molecular formula C22H22IN3O2 and a molecular weight of 487.34 g/mol. Its IUPAC name is (2-iodophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-iodophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
PubChem CID108764373
Molecular FormulaC22H22IN3O2
Molecular Weight487.34 g/mol
Exact Mass487.08
IUPAC Name(2-iodophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
SMILESCOc1cccc2c(C)cc(N3CCN(C(=O)c4ccccc4I)CC3)nc12
InChIInChI=1S/C22H22IN3O2/c1-15-14-20(24-21-16(15)7-5-9-19(21)28-2)25-10-12-26(13-11-25)22(27)17-6-3-4-8-18(17)23/h3-9,14H,10-13H2,1-2H3
InChIKeyFQFARJQFKHXXPT-UHFFFAOYSA-N
XLogP4.12
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.34
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone
CID 108764370
[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]-(2-methyl-3,5-dinitrophenyl)methanone
CID 108741843
3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 108741817
3-bromo-1-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]propan-1-one
CID 108741927
3-[4-(8-methoxy-4-methylquinolin-2-yl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 108741818
[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 108754711
(3,4-dimethoxyphenyl)-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108754706
8-methoxy-4-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 23931520
(4,5-dimethoxy-2-nitrophenyl)-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]methanone
CID 108731183
(2-iodophenyl)-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 41116780
8-methoxy-4-methyl-2-piperazin-1-ylquinoline;oxalic acid
CID 75464988
4-(2,6-dimethylphenoxy)-1-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one
CID 108764444

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-iodophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone (CID 108764373) is (2-iodophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-iodophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-iodophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone is COc1cccc2c(C)cc(N3CCN(C(=O)c4ccccc4I)CC3)nc12.
What is the InChIKey of (2-iodophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone?
The InChIKey is FQFARJQFKHXXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22IN3O2/c1-15-14-20(24-21-16(15)7-5-9-19(21)28-2)25-10-12-26(13-11-25)22(27)17-6-3-4-8-18(17)23/h3-9,14H,10-13H2,1-2H3.
What are the key properties of (2-iodophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone?
(2-iodophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone has a molecular weight of 487.34 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-[4-(8-methoxy-4-methylquinolin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 108764373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).