(3R)-1-(5-amino-6-chloroquinolin-2-yl)pyrrolidin-3-ol

C13H14ClN3O — CID 69240862

IUPAC(3R)-1-(5-amino-6-chloroquinolin-2-yl)pyrrolidin-3-ol
SMILESNc1c(Cl)ccc2nc(N3CC[C@@H](O)C3)ccc12
InChIInChI=1S/C13H14ClN3O/c14-10-2-3-11-9(13(10)15)1-4-12(16-11)17-6-5-8(18)7-17/h1-4,8,18H,5-7,15H2/t8-/m1/s1
InChIKeyXWFLYYTUHABUPO-MRVPVSSYSA-N
MW263.73 g/mol
LogP2.04
Rot. Bonds1

About (3R)-1-(5-amino-6-chloroquinolin-2-yl)pyrrolidin-3-ol

(3R)-1-(5-amino-6-chloroquinolin-2-yl)pyrrolidin-3-ol (PubChem CID 69240862) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is (3R)-1-(5-amino-6-chloroquinolin-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(5-amino-6-chloroquinolin-2-yl)pyrrolidin-3-ol
PubChem CID69240862
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name(3R)-1-(5-amino-6-chloroquinolin-2-yl)pyrrolidin-3-ol
SMILESNc1c(Cl)ccc2nc(N3CC[C@@H](O)C3)ccc12
InChIInChI=1S/C13H14ClN3O/c14-10-2-3-11-9(13(10)15)1-4-12(16-11)17-6-5-8(18)7-17/h1-4,8,18H,5-7,15H2/t8-/m1/s1
InChIKeyXWFLYYTUHABUPO-MRVPVSSYSA-N
XLogP2.04
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-amino-6-chloroquinolin-2-yl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(5-amino-6-chloroquinolin-2-yl)pyrrolidin-3-ol (CID 69240862) is (3R)-1-(5-amino-6-chloroquinolin-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(5-amino-6-chloroquinolin-2-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(5-amino-6-chloroquinolin-2-yl)pyrrolidin-3-ol is Nc1c(Cl)ccc2nc(N3CC[C@@H](O)C3)ccc12.
What is the InChIKey of (3R)-1-(5-amino-6-chloroquinolin-2-yl)pyrrolidin-3-ol?
The InChIKey is XWFLYYTUHABUPO-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-10-2-3-11-9(13(10)15)1-4-12(16-11)17-6-5-8(18)7-17/h1-4,8,18H,5-7,15H2/t8-/m1/s1.
What are the key properties of (3R)-1-(5-amino-6-chloroquinolin-2-yl)pyrrolidin-3-ol?
(3R)-1-(5-amino-6-chloroquinolin-2-yl)pyrrolidin-3-ol has a molecular weight of 263.73 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-amino-6-chloroquinolin-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 69240862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).