8-[(3S)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine

C26H25N3O — CID 10023612

IUPAC8-[(3S)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine
SMILESNc1ccc2cccc(O[C@H]3CCN(Cc4ccc(-c5ccccc5)cc4)C3)c2n1
InChIInChI=1S/C26H25N3O/c27-25-14-13-22-7-4-8-24(26(22)28-25)30-23-15-16-29(18-23)17-19-9-11-21(12-10-19)20-5-2-1-3-6-20/h1-14,23H,15-18H2,(H2,27,28)/t23-/m0/s1
InChIKeyYVEBLYYXHIIAJG-QHCPKHFHSA-N
MW395.51 g/mol
LogP5.14
Rot. Bonds5

About 8-[(3S)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine

8-[(3S)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine (PubChem CID 10023612) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 8-[(3S)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine.

Molecular Properties

Compound Name8-[(3S)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine
PubChem CID10023612
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name8-[(3S)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine
SMILESNc1ccc2cccc(O[C@H]3CCN(Cc4ccc(-c5ccccc5)cc4)C3)c2n1
InChIInChI=1S/C26H25N3O/c27-25-14-13-22-7-4-8-24(26(22)28-25)30-23-15-16-29(18-23)17-19-9-11-21(12-10-19)20-5-2-1-3-6-20/h1-14,23H,15-18H2,(H2,27,28)/t23-/m0/s1
InChIKeyYVEBLYYXHIIAJG-QHCPKHFHSA-N
XLogP5.14
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(1-benzylpyrrolidin-3-yl)oxyquinolin-2-amine
CID 22254574
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
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
2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone
CID 121157257
O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride
CID 142714057
1-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 62068870
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

Frequently Asked Questions

What is the IUPAC name of 8-[(3S)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine?
The IUPAC name of 8-[(3S)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine (CID 10023612) is 8-[(3S)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine.
What is the SMILES notation for 8-[(3S)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine?
The canonical SMILES for 8-[(3S)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine is Nc1ccc2cccc(O[C@H]3CCN(Cc4ccc(-c5ccccc5)cc4)C3)c2n1.
What is the InChIKey of 8-[(3S)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine?
The InChIKey is YVEBLYYXHIIAJG-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H25N3O/c27-25-14-13-22-7-4-8-24(26(22)28-25)30-23-15-16-29(18-23)17-19-9-11-21(12-10-19)20-5-2-1-3-6-20/h1-14,23H,15-18H2,(H2,27,28)/t23-/m0/s1.
What are the key properties of 8-[(3S)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine?
8-[(3S)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine has a molecular weight of 395.51 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3S)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine is sourced from PubChem (CID 10023612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).