8-(1-benzylpyrrolidin-3-yl)oxyquinolin-2-amine

C20H21N3O — CID 22254574

IUPAC8-(1-benzylpyrrolidin-3-yl)oxyquinolin-2-amine
SMILESNc1ccc2cccc(OC3CCN(Cc4ccccc4)C3)c2n1
InChIInChI=1S/C20H21N3O/c21-19-10-9-16-7-4-8-18(20(16)22-19)24-17-11-12-23(14-17)13-15-5-2-1-3-6-15/h1-10,17H,11-14H2,(H2,21,22)
InChIKeyRHJVYTFUGSPPAA-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.47
Rot. Bonds4

About 8-(1-benzylpyrrolidin-3-yl)oxyquinolin-2-amine

8-(1-benzylpyrrolidin-3-yl)oxyquinolin-2-amine (PubChem CID 22254574) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 8-(1-benzylpyrrolidin-3-yl)oxyquinolin-2-amine.

Molecular Properties

Compound Name8-(1-benzylpyrrolidin-3-yl)oxyquinolin-2-amine
PubChem CID22254574
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name8-(1-benzylpyrrolidin-3-yl)oxyquinolin-2-amine
SMILESNc1ccc2cccc(OC3CCN(Cc4ccccc4)C3)c2n1
InChIInChI=1S/C20H21N3O/c21-19-10-9-16-7-4-8-18(20(16)22-19)24-17-11-12-23(14-17)13-15-5-2-1-3-6-15/h1-10,17H,11-14H2,(H2,21,22)
InChIKeyRHJVYTFUGSPPAA-UHFFFAOYSA-N
XLogP3.47
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(3S)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine
CID 10023612
8-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine
CID 22254568
2-(1-benzylpyrrolidin-3-yl)oxy-6-chloropyridin-3-amine
CID 115474532
4-(1-benzylpyrrolidin-3-yl)oxy-3-fluoroaniline
CID 62916163
4-(1-benzylpyrrolidin-3-yl)oxy-3-bromoaniline
CID 62916334
O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride
CID 142714057
6-(1-benzylpyrrolidin-3-yl)oxy-7-methylisoquinolin-1-amine
CID 68875331
2-(1-benzylpyrrolidin-3-yl)oxy-6-fluoropyridine
CID 62916852
2-(1-benzylpyrrolidin-3-yl)oxypyridin-3-amine
CID 62911300
4-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyrimidin-2-amine
CID 80879763
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-8-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-3-yl]oxyquinolin-2-amine
CID 10481964
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886

Frequently Asked Questions

What is the IUPAC name of 8-(1-benzylpyrrolidin-3-yl)oxyquinolin-2-amine?
The IUPAC name of 8-(1-benzylpyrrolidin-3-yl)oxyquinolin-2-amine (CID 22254574) is 8-(1-benzylpyrrolidin-3-yl)oxyquinolin-2-amine.
What is the SMILES notation for 8-(1-benzylpyrrolidin-3-yl)oxyquinolin-2-amine?
The canonical SMILES for 8-(1-benzylpyrrolidin-3-yl)oxyquinolin-2-amine is Nc1ccc2cccc(OC3CCN(Cc4ccccc4)C3)c2n1.
What is the InChIKey of 8-(1-benzylpyrrolidin-3-yl)oxyquinolin-2-amine?
The InChIKey is RHJVYTFUGSPPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c21-19-10-9-16-7-4-8-18(20(16)22-19)24-17-11-12-23(14-17)13-15-5-2-1-3-6-15/h1-10,17H,11-14H2,(H2,21,22).
What are the key properties of 8-(1-benzylpyrrolidin-3-yl)oxyquinolin-2-amine?
8-(1-benzylpyrrolidin-3-yl)oxyquinolin-2-amine has a molecular weight of 319.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-benzylpyrrolidin-3-yl)oxyquinolin-2-amine is sourced from PubChem (CID 22254574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).