4-[(3S)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methyl-7-phenylmethoxyquinoline

C24H28N2O3 — CID 69288784

IUPAC4-[(3S)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methyl-7-phenylmethoxyquinoline
SMILESCOCCO[C@H]1CCN(c2cc(C)nc3cc(OCc4ccccc4)ccc23)C1
InChIInChI=1S/C24H28N2O3/c1-18-14-24(26-11-10-21(16-26)28-13-12-27-2)22-9-8-20(15-23(22)25-18)29-17-19-6-4-3-5-7-19/h3-9,14-15,21H,10-13,16-17H2,1-2H3/t21-/m0/s1
InChIKeyCBYSWKDGALCATF-NRFANRHFSA-N
MW392.50 g/mol
LogP4.36
Rot. Bonds8

About 4-[(3S)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methyl-7-phenylmethoxyquinoline

4-[(3S)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methyl-7-phenylmethoxyquinoline (PubChem CID 69288784) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-[(3S)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methyl-7-phenylmethoxyquinoline.

Molecular Properties

Compound Name4-[(3S)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methyl-7-phenylmethoxyquinoline
PubChem CID69288784
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name4-[(3S)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methyl-7-phenylmethoxyquinoline
SMILESCOCCO[C@H]1CCN(c2cc(C)nc3cc(OCc4ccccc4)ccc23)C1
InChIInChI=1S/C24H28N2O3/c1-18-14-24(26-11-10-21(16-26)28-13-12-27-2)22-9-8-20(15-23(22)25-18)29-17-19-6-4-3-5-7-19/h3-9,14-15,21H,10-13,16-17H2,1-2H3/t21-/m0/s1
InChIKeyCBYSWKDGALCATF-NRFANRHFSA-N
XLogP4.36
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(3S)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methyl-7-phenylmethoxyquinoline 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

4-(3-methoxypyrrolidin-1-yl)-2-methyl-7-phenylmethoxyquinoline
CID 22641415
4-[[4-[3-(3-methoxypropoxy)pyrrolidin-1-yl]-2-methylquinolin-7-yl]oxymethyl]benzonitrile;hydrochloride
CID 22641379
4-[[4-[(3S)-3-(2-hydroxyethoxy)pyrrolidin-1-yl]-2-methylquinolin-7-yl]oxymethyl]benzonitrile
CID 69288068
4-[[4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methylquinolin-7-yl]oxymethyl]benzonitrile
CID 10177357
4-[[4-(3-methoxypyrrolidin-1-yl)-2-methylquinolin-7-yl]oxymethyl]benzonitrile;hydrochloride
CID 22641344
2-[[3-[4-(2-methoxyethoxy)piperidin-1-yl]phenoxy]methyl]-3-methyl-4-phenylmethoxyquinoline
CID 59527353
4-[[2-methyl-4-(3-pyridin-4-ylpyrrolidin-1-yl)quinolin-7-yl]oxymethyl]benzonitrile
CID 22641484
2-methyl-7-(pyridin-4-ylmethoxy)-4-pyrrolidin-1-ylquinoline;hydrochloride
CID 22641317
7-[(3,5-dimethoxyphenyl)methoxy]-2-methyl-4-pyrrolidin-1-ylquinoline
CID 22641311
1-(2-methyl-7-phenylmethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 18452845
4-[4-(2-methoxyethoxy)piperidin-1-yl]quinoline-2-carbonitrile
CID 133448513
2-[4-(3-ethoxypyrrolidin-1-yl)-2-methylquinolin-7-yl]pyridin-3-amine
CID 69306273

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methyl-7-phenylmethoxyquinoline?
The IUPAC name of 4-[(3S)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methyl-7-phenylmethoxyquinoline (CID 69288784) is 4-[(3S)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methyl-7-phenylmethoxyquinoline.
What is the SMILES notation for 4-[(3S)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methyl-7-phenylmethoxyquinoline?
The canonical SMILES for 4-[(3S)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methyl-7-phenylmethoxyquinoline is COCCO[C@H]1CCN(c2cc(C)nc3cc(OCc4ccccc4)ccc23)C1.
What is the InChIKey of 4-[(3S)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methyl-7-phenylmethoxyquinoline?
The InChIKey is CBYSWKDGALCATF-NRFANRHFSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-18-14-24(26-11-10-21(16-26)28-13-12-27-2)22-9-8-20(15-23(22)25-18)29-17-19-6-4-3-5-7-19/h3-9,14-15,21H,10-13,16-17H2,1-2H3/t21-/m0/s1.
What are the key properties of 4-[(3S)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methyl-7-phenylmethoxyquinoline?
4-[(3S)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methyl-7-phenylmethoxyquinoline has a molecular weight of 392.50 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methyl-7-phenylmethoxyquinoline is sourced from PubChem (CID 69288784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).