4-(3-methoxypyrrolidin-1-yl)-2-methyl-7-phenylmethoxyquinoline

C22H24N2O2 — CID 22641415

IUPAC4-(3-methoxypyrrolidin-1-yl)-2-methyl-7-phenylmethoxyquinoline
SMILESCOC1CCN(c2cc(C)nc3cc(OCc4ccccc4)ccc23)C1
InChIInChI=1S/C22H24N2O2/c1-16-12-22(24-11-10-19(14-24)25-2)20-9-8-18(13-21(20)23-16)26-15-17-6-4-3-5-7-17/h3-9,12-13,19H,10-11,14-15H2,1-2H3
InChIKeyARHAUJBDNJGAPQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.35
Rot. Bonds5

About 4-(3-methoxypyrrolidin-1-yl)-2-methyl-7-phenylmethoxyquinoline

4-(3-methoxypyrrolidin-1-yl)-2-methyl-7-phenylmethoxyquinoline (PubChem CID 22641415) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-(3-methoxypyrrolidin-1-yl)-2-methyl-7-phenylmethoxyquinoline.

Molecular Properties

Compound Name4-(3-methoxypyrrolidin-1-yl)-2-methyl-7-phenylmethoxyquinoline
PubChem CID22641415
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name4-(3-methoxypyrrolidin-1-yl)-2-methyl-7-phenylmethoxyquinoline
SMILESCOC1CCN(c2cc(C)nc3cc(OCc4ccccc4)ccc23)C1
InChIInChI=1S/C22H24N2O2/c1-16-12-22(24-11-10-19(14-24)25-2)20-9-8-18(13-21(20)23-16)26-15-17-6-4-3-5-7-17/h3-9,12-13,19H,10-11,14-15H2,1-2H3
InChIKeyARHAUJBDNJGAPQ-UHFFFAOYSA-N
XLogP4.35
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3S)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methyl-7-phenylmethoxyquinoline
CID 69288784
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
4-[[4-[(3S)-3-(2-hydroxyethoxy)pyrrolidin-1-yl]-2-methylquinolin-7-yl]oxymethyl]benzonitrile
CID 69288068
4-[[4-[3-(3-methoxypropoxy)pyrrolidin-1-yl]-2-methylquinolin-7-yl]oxymethyl]benzonitrile;hydrochloride
CID 22641379
4-[[4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylquinolin-7-yl]methoxy]benzonitrile
CID 22054501
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
methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate
CID 78983917
4-(3-methoxypyrrolidin-1-yl)quinoline-2-carboxylic acid
CID 103534309

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-2-methyl-7-phenylmethoxyquinoline?
The IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-2-methyl-7-phenylmethoxyquinoline (CID 22641415) is 4-(3-methoxypyrrolidin-1-yl)-2-methyl-7-phenylmethoxyquinoline.
What is the SMILES notation for 4-(3-methoxypyrrolidin-1-yl)-2-methyl-7-phenylmethoxyquinoline?
The canonical SMILES for 4-(3-methoxypyrrolidin-1-yl)-2-methyl-7-phenylmethoxyquinoline is COC1CCN(c2cc(C)nc3cc(OCc4ccccc4)ccc23)C1.
What is the InChIKey of 4-(3-methoxypyrrolidin-1-yl)-2-methyl-7-phenylmethoxyquinoline?
The InChIKey is ARHAUJBDNJGAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16-12-22(24-11-10-19(14-24)25-2)20-9-8-18(13-21(20)23-16)26-15-17-6-4-3-5-7-17/h3-9,12-13,19H,10-11,14-15H2,1-2H3.
What are the key properties of 4-(3-methoxypyrrolidin-1-yl)-2-methyl-7-phenylmethoxyquinoline?
4-(3-methoxypyrrolidin-1-yl)-2-methyl-7-phenylmethoxyquinoline has a molecular weight of 348.45 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypyrrolidin-1-yl)-2-methyl-7-phenylmethoxyquinoline is sourced from PubChem (CID 22641415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).