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

C24H29N3O — CID 10248906

IUPAC8-[(3S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine
SMILESCC(C)(C)c1ccc(CN2CC[C@H](Oc3cccc4ccc(N)nc34)C2)cc1
InChIInChI=1S/C24H29N3O/c1-24(2,3)19-10-7-17(8-11-19)15-27-14-13-20(16-27)28-21-6-4-5-18-9-12-22(25)26-23(18)21/h4-12,20H,13-16H2,1-3H3,(H2,25,26)/t20-/m0/s1
InChIKeyYDBNKIYLWFCYOA-FQEVSTJZSA-N
MW375.52 g/mol
LogP4.77
Rot. Bonds4

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

8-[(3S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine (PubChem CID 10248906) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 8-[(3S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine.

Molecular Properties

Compound Name8-[(3S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine
PubChem CID10248906
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name8-[(3S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine
SMILESCC(C)(C)c1ccc(CN2CC[C@H](Oc3cccc4ccc(N)nc34)C2)cc1
InChIInChI=1S/C24H29N3O/c1-24(2,3)19-10-7-17(8-11-19)15-27-14-13-20(16-27)28-21-6-4-5-18-9-12-22(25)26-23(18)21/h4-12,20H,13-16H2,1-3H3,(H2,25,26)/t20-/m0/s1
InChIKeyYDBNKIYLWFCYOA-FQEVSTJZSA-N
XLogP4.77
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[(3S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine with MolForge

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Related Compounds

8-Methoxyquinolin-2-amine
CID 22266820
8-(3-Methyl-cyclohexyloxy)-quinolin-2-ylamine
CID 10038053
8-(3-Methyl-cyclopentyloxy)-quinolin-2-ylamine
CID 10083101
8-(1,3,3-Trimethyl-butoxy)-quinolin-2-ylamine
CID 10083869
2-Quinolinamine, 8-(1-methylethoxy)-
CID 10198125
8-(4-Methyl-cyclohexyloxy)-quinolin-2-ylamine
CID 10244148
8-sec-Butoxy-quinolin-2-ylamine
CID 10262766
8-Cycloheptyloxy-quinolin-2-ylamine
CID 10332650
8-Pentyloxy-quinolin-2-ylamine
CID 10353806
8-(1-Ethyl-propoxy)-quinolin-2-ylamine
CID 10353807
8-(2-Ethyl-1-methyl-butoxy)-quinolin-2-ylamine
CID 10377822
8-(3-Methoxy-3-methyl-butoxy)-quinolin-2-ylamine
CID 10377914

Frequently Asked Questions

What is the IUPAC name of 8-[(3S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine?
The IUPAC name of 8-[(3S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine (CID 10248906) is 8-[(3S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine.
What is the SMILES notation for 8-[(3S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine?
The canonical SMILES for 8-[(3S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine is CC(C)(C)c1ccc(CN2CC[C@H](Oc3cccc4ccc(N)nc34)C2)cc1.
What is the InChIKey of 8-[(3S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine?
The InChIKey is YDBNKIYLWFCYOA-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H29N3O/c1-24(2,3)19-10-7-17(8-11-19)15-27-14-13-20(16-27)28-21-6-4-5-18-9-12-22(25)26-23(18)21/h4-12,20H,13-16H2,1-3H3,(H2,25,26)/t20-/m0/s1.
What are the key properties of 8-[(3S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine?
8-[(3S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine has a molecular weight of 375.52 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]oxyquinolin-2-amine is sourced from PubChem (CID 10248906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).