[(3R,4R)-1-[(6-chloroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine

C21H22ClN3 — CID 120769662

IUPAC[(3R,4R)-1-[(6-chloroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CN(Cc2cc(Cl)cc3cccnc23)C[C@H]1c1ccccc1
InChIInChI=1S/C21H22ClN3/c22-19-9-16-7-4-8-24-21(16)17(10-19)12-25-13-18(11-23)20(14-25)15-5-2-1-3-6-15/h1-10,18,20H,11-14,23H2/t18-,20+/m1/s1
InChIKeyDLZTUHCFTZMWKY-QUCCMNQESA-N
MW351.88 g/mol
LogP4.06
Rot. Bonds4

About [(3R,4R)-1-[(6-chloroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine

[(3R,4R)-1-[(6-chloroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine (PubChem CID 120769662) has the molecular formula C21H22ClN3 and a molecular weight of 351.88 g/mol. Its IUPAC name is [(3R,4R)-1-[(6-chloroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R,4R)-1-[(6-chloroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
PubChem CID120769662
Molecular FormulaC21H22ClN3
Molecular Weight351.88 g/mol
Exact Mass351.15
IUPAC Name[(3R,4R)-1-[(6-chloroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
SMILESNC[C@@H]1CN(Cc2cc(Cl)cc3cccnc23)C[C@H]1c1ccccc1
InChIInChI=1S/C21H22ClN3/c22-19-9-16-7-4-8-24-21(16)17(10-19)12-25-13-18(11-23)20(14-25)15-5-2-1-3-6-15/h1-10,18,20H,11-14,23H2/t18-,20+/m1/s1
InChIKeyDLZTUHCFTZMWKY-QUCCMNQESA-N
XLogP4.06
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,4R)-1-(naphthalen-2-ylmethyl)-4-phenylpyrrolidin-3-yl]methanamine
CID 120759943
[(3R,4R)-4-phenyl-1-[(2,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 120769564
(6-chloroquinolin-8-yl)methanamine
CID 82505038
[(3R,4R)-4-phenyl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120769592
[(3R,4R)-4-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120758679
[(3R,4R)-1-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120769339
1-[(6-chloroquinolin-8-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120782193
[(3R,4S)-1-benzyl-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]methanamine
CID 67233832
(3S,4R)-1-[(5-chloro-2-fluorophenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770008
(3S,4R)-1-[(5-fluoroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120769922
[(3R,4R)-1-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120758591
[(3R,4R)-1-[(3-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120769822

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-[(6-chloroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine?
The IUPAC name of [(3R,4R)-1-[(6-chloroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine (CID 120769662) is [(3R,4R)-1-[(6-chloroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3R,4R)-1-[(6-chloroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3R,4R)-1-[(6-chloroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine is NC[C@@H]1CN(Cc2cc(Cl)cc3cccnc23)C[C@H]1c1ccccc1.
What is the InChIKey of [(3R,4R)-1-[(6-chloroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine?
The InChIKey is DLZTUHCFTZMWKY-QUCCMNQESA-N. The full InChI is InChI=1S/C21H22ClN3/c22-19-9-16-7-4-8-24-21(16)17(10-19)12-25-13-18(11-23)20(14-25)15-5-2-1-3-6-15/h1-10,18,20H,11-14,23H2/t18-,20+/m1/s1.
What are the key properties of [(3R,4R)-1-[(6-chloroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine?
[(3R,4R)-1-[(6-chloroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine has a molecular weight of 351.88 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-[(6-chloroquinolin-8-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120769662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).