2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinolin-4-amine

C21H23N3 — CID 130365852

IUPAC2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinolin-4-amine
SMILESc1ccc(-c2cc(NCCC3CCCN3)c3ccccc3n2)cc1
InChIInChI=1S/C21H23N3/c1-2-7-16(8-3-1)20-15-21(18-10-4-5-11-19(18)24-20)23-14-12-17-9-6-13-22-17/h1-5,7-8,10-11,15,17,22H,6,9,12-14H2,(H,23,24)
InChIKeyUZUFCQJMPLTGPQ-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.46
Rot. Bonds5

About 2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinolin-4-amine

2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinolin-4-amine (PubChem CID 130365852) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinolin-4-amine.

Molecular Properties

Compound Name2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinolin-4-amine
PubChem CID130365852
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinolin-4-amine
SMILESc1ccc(-c2cc(NCCC3CCCN3)c3ccccc3n2)cc1
InChIInChI=1S/C21H23N3/c1-2-7-16(8-3-1)20-15-21(18-10-4-5-11-19(18)24-20)23-14-12-17-9-6-13-22-17/h1-5,7-8,10-11,15,17,22H,6,9,12-14H2,(H,23,24)
InChIKeyUZUFCQJMPLTGPQ-UHFFFAOYSA-N
XLogP4.46
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinoline-4-carboxamide
CID 162460261
N,N'-bis(2-phenylquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531954
2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine;dihydrochloride
CID 45050904
7-chloro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-4-amine
CID 104973339
2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 73050865
2-phenyl-4-[(2R)-piperidin-2-yl]quinoline
CID 7144282
2,4-difluoro-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210125
5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]quinolin-6-amine
CID 104972848
2-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)quinolin-4-amine;hydrobromide
CID 45051431
3-bromo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile
CID 104973065
4,6-dimethyl-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794364
5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210168

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinolin-4-amine?
The IUPAC name of 2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinolin-4-amine (CID 130365852) is 2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinolin-4-amine.
What is the SMILES notation for 2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinolin-4-amine?
The canonical SMILES for 2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinolin-4-amine is c1ccc(-c2cc(NCCC3CCCN3)c3ccccc3n2)cc1.
What is the InChIKey of 2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinolin-4-amine?
The InChIKey is UZUFCQJMPLTGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-2-7-16(8-3-1)20-15-21(18-10-4-5-11-19(18)24-20)23-14-12-17-9-6-13-22-17/h1-5,7-8,10-11,15,17,22H,6,9,12-14H2,(H,23,24).
What are the key properties of 2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinolin-4-amine?
2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinolin-4-amine has a molecular weight of 317.44 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-pyrrolidin-2-ylethyl)quinolin-4-amine is sourced from PubChem (CID 130365852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).