2-(5-chloroquinolin-8-yl)-1-propylpyrrolidin-3-amine

C16H20ClN3 — CID 115960452

IUPAC2-(5-chloroquinolin-8-yl)-1-propylpyrrolidin-3-amine
SMILESCCCN1CCC(N)C1c1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H20ClN3/c1-2-9-20-10-7-14(18)16(20)12-5-6-13(17)11-4-3-8-19-15(11)12/h3-6,8,14,16H,2,7,9-10,18H2,1H3
InChIKeyOUPNHHRVQUNUGN-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.37
Rot. Bonds3

About 2-(5-chloroquinolin-8-yl)-1-propylpyrrolidin-3-amine

2-(5-chloroquinolin-8-yl)-1-propylpyrrolidin-3-amine (PubChem CID 115960452) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)-1-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)-1-propylpyrrolidin-3-amine
PubChem CID115960452
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name2-(5-chloroquinolin-8-yl)-1-propylpyrrolidin-3-amine
SMILESCCCN1CCC(N)C1c1ccc(Cl)c2cccnc12
InChIInChI=1S/C16H20ClN3/c1-2-9-20-10-7-14(18)16(20)12-5-6-13(17)11-4-3-8-19-15(11)12/h3-6,8,14,16H,2,7,9-10,18H2,1H3
InChIKeyOUPNHHRVQUNUGN-UHFFFAOYSA-N
XLogP3.37
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-1-propyl-2-pyridin-2-ylpyrrolidin-3-amine
CID 178196697
2-(5-bromoquinolin-8-yl)-1-cyclopropylpyrrolidin-3-amine
CID 115960457
(2R,3S)-2-(3-aminophenyl)-1-propylpyrrolidin-3-amine
CID 178199859
1-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperidin-3-amine
CID 115959704
2-isoquinolin-4-yl-1-propylpiperidin-3-amine
CID 104505167
4-(5-chloroquinolin-8-yl)azetidin-2-one
CID 112618582
[2-(5-chloroquinolin-8-yl)oxan-3-yl]methanol
CID 112618787
1-propyl-2-(2-propylpyrazol-3-yl)azepan-3-amine
CID 114557827
1-[(5-chloroquinolin-8-yl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 115960560
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloroquinolin-8-yl)methanone
CID 120818978
2-(5-chloroquinolin-8-yl)-N-ethyloxan-4-amine
CID 115960467
3-amino-1-(5-chloroquinolin-8-yl)piperidin-2-one
CID 116785599

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)-1-propylpyrrolidin-3-amine?
The IUPAC name of 2-(5-chloroquinolin-8-yl)-1-propylpyrrolidin-3-amine (CID 115960452) is 2-(5-chloroquinolin-8-yl)-1-propylpyrrolidin-3-amine.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)-1-propylpyrrolidin-3-amine?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)-1-propylpyrrolidin-3-amine is CCCN1CCC(N)C1c1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)-1-propylpyrrolidin-3-amine?
The InChIKey is OUPNHHRVQUNUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-2-9-20-10-7-14(18)16(20)12-5-6-13(17)11-4-3-8-19-15(11)12/h3-6,8,14,16H,2,7,9-10,18H2,1H3.
What are the key properties of 2-(5-chloroquinolin-8-yl)-1-propylpyrrolidin-3-amine?
2-(5-chloroquinolin-8-yl)-1-propylpyrrolidin-3-amine has a molecular weight of 289.81 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)-1-propylpyrrolidin-3-amine is sourced from PubChem (CID 115960452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).