2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-3-ylpropan-1-one;dihydrochloride

C16H21Cl2N3O2 — CID 68958966

IUPAC2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-3-ylpropan-1-one;dihydrochloride
SMILESCl.Cl.NC(C(=O)N1CCCC1)C(O)c1cnc2ccccc2c1
InChIInChI=1S/C16H19N3O2.2ClH/c17-14(16(21)19-7-3-4-8-19)15(20)12-9-11-5-1-2-6-13(11)18-10-12;;/h1-2,5-6,9-10,14-15,20H,3-4,7-8,17H2;2*1H
InChIKeyNIPXTXDLKQPRSR-UHFFFAOYSA-N
MW358.27 g/mol
LogP2.06
Rot. Bonds3

About 2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-3-ylpropan-1-one;dihydrochloride

2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-3-ylpropan-1-one;dihydrochloride (PubChem CID 68958966) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-3-ylpropan-1-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-3-ylpropan-1-one;dihydrochloride
PubChem CID68958966
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC Name2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-3-ylpropan-1-one;dihydrochloride
SMILESCl.Cl.NC(C(=O)N1CCCC1)C(O)c1cnc2ccccc2c1
InChIInChI=1S/C16H19N3O2.2ClH/c17-14(16(21)19-7-3-4-8-19)15(20)12-9-11-5-1-2-6-13(11)18-10-12;;/h1-2,5-6,9-10,14-15,20H,3-4,7-8,17H2;2*1H
InChIKeyNIPXTXDLKQPRSR-UHFFFAOYSA-N
XLogP2.06
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 23572000
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CID 68954916
2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one
CID 50940502
(2R,3S)-2-amino-3-hydroxy-3-pyridin-3-yl-1-pyrrolidin-1-ylpropan-1-one;methane
CID 169423845
2-amino-3-hydroxy-3-(3-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 68959069
(2R,3S)-2-amino-3-(4-chlorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 24759914
(2S)-1-(azetidin-1-yl)-2-quinolin-3-yloxypropan-1-one
CID 166219750
(2R,3R)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 25155665
(2R,3S)-2-amino-3-hydroxy-3-(2-methylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 143270061
2-pyrrolidin-1-yl-2-quinolin-3-ylethanamine
CID 67140262
(2R,3S)-2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-thiophen-3-ylpropan-1-one;methane;sulfane;hydrochloride
CID 161483552
fluoro(quinolin-3-yl)methanol
CID 163892772

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-3-ylpropan-1-one;dihydrochloride?
The IUPAC name of 2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-3-ylpropan-1-one;dihydrochloride (CID 68958966) is 2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-3-ylpropan-1-one;dihydrochloride.
What is the SMILES notation for 2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-3-ylpropan-1-one;dihydrochloride?
The canonical SMILES for 2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-3-ylpropan-1-one;dihydrochloride is Cl.Cl.NC(C(=O)N1CCCC1)C(O)c1cnc2ccccc2c1.
What is the InChIKey of 2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-3-ylpropan-1-one;dihydrochloride?
The InChIKey is NIPXTXDLKQPRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2.2ClH/c17-14(16(21)19-7-3-4-8-19)15(20)12-9-11-5-1-2-6-13(11)18-10-12;;/h1-2,5-6,9-10,14-15,20H,3-4,7-8,17H2;2*1H.
What are the key properties of 2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-3-ylpropan-1-one;dihydrochloride?
2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-3-ylpropan-1-one;dihydrochloride has a molecular weight of 358.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-quinolin-3-ylpropan-1-one;dihydrochloride is sourced from PubChem (CID 68958966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).