4-(1-iodo-5-methylpyrrolidin-3-yl)oxy-7-methoxy-2-phenylquinoline

C21H21IN2O2 — CID 143036531

IUPAC4-(1-iodo-5-methylpyrrolidin-3-yl)oxy-7-methoxy-2-phenylquinoline
SMILESCOc1ccc2c(OC3CC(C)N(I)C3)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C21H21IN2O2/c1-14-10-17(13-24(14)22)26-21-12-19(15-6-4-3-5-7-15)23-20-11-16(25-2)8-9-18(20)21/h3-9,11-12,14,17H,10,13H2,1-2H3
InChIKeySIHGCQXSLQAIMT-UHFFFAOYSA-N
MW460.32 g/mol
LogP5.10
Rot. Bonds4

About 4-(1-iodo-5-methylpyrrolidin-3-yl)oxy-7-methoxy-2-phenylquinoline

4-(1-iodo-5-methylpyrrolidin-3-yl)oxy-7-methoxy-2-phenylquinoline (PubChem CID 143036531) has the molecular formula C21H21IN2O2 and a molecular weight of 460.32 g/mol. Its IUPAC name is 4-(1-iodo-5-methylpyrrolidin-3-yl)oxy-7-methoxy-2-phenylquinoline.

Molecular Properties

Compound Name4-(1-iodo-5-methylpyrrolidin-3-yl)oxy-7-methoxy-2-phenylquinoline
PubChem CID143036531
Molecular FormulaC21H21IN2O2
Molecular Weight460.32 g/mol
Exact Mass460.06
IUPAC Name4-(1-iodo-5-methylpyrrolidin-3-yl)oxy-7-methoxy-2-phenylquinoline
SMILESCOc1ccc2c(OC3CC(C)N(I)C3)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C21H21IN2O2/c1-14-10-17(13-24(14)22)26-21-12-19(15-6-4-3-5-7-15)23-20-11-16(25-2)8-9-18(20)21/h3-9,11-12,14,17H,10,13H2,1-2H3
InChIKeySIHGCQXSLQAIMT-UHFFFAOYSA-N
XLogP5.10
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.32
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(1-iodo-5-methylpyrrolidin-3-yl)oxy-7-methoxy-2-phenylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-methylsulfonylpyrrolidine-2-carboxylic acid
CID 143643438
(1R,2S,4S)-2-amino-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid
CID 69315373
1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]ethanone
CID 141203944
2-(cyclopropylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylic acid
CID 141060869
(1R,2S,4R)-2-acetamido-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid
CID 59441103
(7-methoxy-2-phenylquinolin-4-yl) hypofluorite
CID 143605848
(2S)-1-(benzylcarbamoyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid
CID 143643502
tert-butyl (2S,4R)-2-(2-hydroxyacetyl)-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-1-carboxylate
CID 58194889
4-iodo-7-methoxy-2-phenylquinoline
CID 143031618
(2S,4R)-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid
CID 59127595
1-[3,3-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)butanoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid
CID 123817611
(1R)-2-ethyl-1-[[(2S,4R)-4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 59907519

Frequently Asked Questions

What is the IUPAC name of 4-(1-iodo-5-methylpyrrolidin-3-yl)oxy-7-methoxy-2-phenylquinoline?
The IUPAC name of 4-(1-iodo-5-methylpyrrolidin-3-yl)oxy-7-methoxy-2-phenylquinoline (CID 143036531) is 4-(1-iodo-5-methylpyrrolidin-3-yl)oxy-7-methoxy-2-phenylquinoline.
What is the SMILES notation for 4-(1-iodo-5-methylpyrrolidin-3-yl)oxy-7-methoxy-2-phenylquinoline?
The canonical SMILES for 4-(1-iodo-5-methylpyrrolidin-3-yl)oxy-7-methoxy-2-phenylquinoline is COc1ccc2c(OC3CC(C)N(I)C3)cc(-c3ccccc3)nc2c1.
What is the InChIKey of 4-(1-iodo-5-methylpyrrolidin-3-yl)oxy-7-methoxy-2-phenylquinoline?
The InChIKey is SIHGCQXSLQAIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21IN2O2/c1-14-10-17(13-24(14)22)26-21-12-19(15-6-4-3-5-7-15)23-20-11-16(25-2)8-9-18(20)21/h3-9,11-12,14,17H,10,13H2,1-2H3.
What are the key properties of 4-(1-iodo-5-methylpyrrolidin-3-yl)oxy-7-methoxy-2-phenylquinoline?
4-(1-iodo-5-methylpyrrolidin-3-yl)oxy-7-methoxy-2-phenylquinoline has a molecular weight of 460.32 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-iodo-5-methylpyrrolidin-3-yl)oxy-7-methoxy-2-phenylquinoline is sourced from PubChem (CID 143036531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).