8-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine

C22H25N3O — CID 22254568

IUPAC8-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine
SMILESCc1ccc(CN2CCC(Oc3cccc4ccc(N)nc34)C2)c(C)c1
InChIInChI=1S/C22H25N3O/c1-15-6-7-18(16(2)12-15)13-25-11-10-19(14-25)26-20-5-3-4-17-8-9-21(23)24-22(17)20/h3-9,12,19H,10-11,13-14H2,1-2H3,(H2,23,24)
InChIKeyRBZIDWZVYVTJSA-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.09
Rot. Bonds4

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

8-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine (PubChem CID 22254568) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 8-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine.

Molecular Properties

Compound Name8-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine
PubChem CID22254568
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name8-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine
SMILESCc1ccc(CN2CCC(Oc3cccc4ccc(N)nc34)C2)c(C)c1
InChIInChI=1S/C22H25N3O/c1-15-6-7-18(16(2)12-15)13-25-11-10-19(14-25)26-20-5-3-4-17-8-9-21(23)24-22(17)20/h3-9,12,19H,10-11,13-14H2,1-2H3,(H2,23,24)
InChIKeyRBZIDWZVYVTJSA-UHFFFAOYSA-N
XLogP4.09
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine?
The IUPAC name of 8-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine (CID 22254568) is 8-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine.
What is the SMILES notation for 8-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine?
The canonical SMILES for 8-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine is Cc1ccc(CN2CCC(Oc3cccc4ccc(N)nc34)C2)c(C)c1.
What is the InChIKey of 8-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine?
The InChIKey is RBZIDWZVYVTJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-15-6-7-18(16(2)12-15)13-25-11-10-19(14-25)26-20-5-3-4-17-8-9-21(23)24-22(17)20/h3-9,12,19H,10-11,13-14H2,1-2H3,(H2,23,24).
What are the key properties of 8-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine?
8-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine has a molecular weight of 347.46 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine is sourced from PubChem (CID 22254568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).