N-(2-phenyl-2-pyrrolidin-1-ylethyl)quinolin-8-amine

C21H23N3 — CID 110452326

IUPACN-(2-phenyl-2-pyrrolidin-1-ylethyl)quinolin-8-amine
SMILESc1ccc(C(CNc2cccc3cccnc23)N2CCCC2)cc1
InChIInChI=1S/C21H23N3/c1-2-8-17(9-3-1)20(24-14-4-5-15-24)16-23-19-12-6-10-18-11-7-13-22-21(18)19/h1-3,6-13,20,23H,4-5,14-16H2
InChIKeyATGKILRSHPVSQV-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.48
Rot. Bonds5

About N-(2-phenyl-2-pyrrolidin-1-ylethyl)quinolin-8-amine

N-(2-phenyl-2-pyrrolidin-1-ylethyl)quinolin-8-amine (PubChem CID 110452326) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-(2-phenyl-2-pyrrolidin-1-ylethyl)quinolin-8-amine.

Molecular Properties

Compound NameN-(2-phenyl-2-pyrrolidin-1-ylethyl)quinolin-8-amine
PubChem CID110452326
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC NameN-(2-phenyl-2-pyrrolidin-1-ylethyl)quinolin-8-amine
SMILESc1ccc(C(CNc2cccc3cccnc23)N2CCCC2)cc1
InChIInChI=1S/C21H23N3/c1-2-8-17(9-3-1)20(24-14-4-5-15-24)16-23-19-12-6-10-18-11-7-13-22-21(18)19/h1-3,6-13,20,23H,4-5,14-16H2
InChIKeyATGKILRSHPVSQV-UHFFFAOYSA-N
XLogP4.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-phenyl-2-pyrrolidin-1-ylethyl)quinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-3-pyrrolidin-1-yl-N-[2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]propanamide
CID 139519224
N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine
CID 82538556
N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 20827882
N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-8-carboxamide
CID 30695715
(2S)-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 52510560
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 72875943
N-(4-methylpentan-2-yl)quinolin-8-amine
CID 43097667
6-ethyl-N-(2-phenyl-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176506339
1-(4-benzylpiperidin-1-yl)-2-(quinolin-8-ylamino)ethanone
CID 109006353
1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride
CID 21228853
1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine
CID 58442316

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-2-pyrrolidin-1-ylethyl)quinolin-8-amine?
The IUPAC name of N-(2-phenyl-2-pyrrolidin-1-ylethyl)quinolin-8-amine (CID 110452326) is N-(2-phenyl-2-pyrrolidin-1-ylethyl)quinolin-8-amine.
What is the SMILES notation for N-(2-phenyl-2-pyrrolidin-1-ylethyl)quinolin-8-amine?
The canonical SMILES for N-(2-phenyl-2-pyrrolidin-1-ylethyl)quinolin-8-amine is c1ccc(C(CNc2cccc3cccnc23)N2CCCC2)cc1.
What is the InChIKey of N-(2-phenyl-2-pyrrolidin-1-ylethyl)quinolin-8-amine?
The InChIKey is ATGKILRSHPVSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-2-8-17(9-3-1)20(24-14-4-5-15-24)16-23-19-12-6-10-18-11-7-13-22-21(18)19/h1-3,6-13,20,23H,4-5,14-16H2.
What are the key properties of N-(2-phenyl-2-pyrrolidin-1-ylethyl)quinolin-8-amine?
N-(2-phenyl-2-pyrrolidin-1-ylethyl)quinolin-8-amine has a molecular weight of 317.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-2-pyrrolidin-1-ylethyl)quinolin-8-amine is sourced from PubChem (CID 110452326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).