(3R,4R)-4-[(6-ethyl-4-methylquinolin-2-yl)amino]pyrrolidin-3-ol

C16H21N3O — CID 67441137

IUPAC(3R,4R)-4-[(6-ethyl-4-methylquinolin-2-yl)amino]pyrrolidin-3-ol
SMILESCCc1ccc2nc(N[C@@H]3CNC[C@H]3O)cc(C)c2c1
InChIInChI=1S/C16H21N3O/c1-3-11-4-5-13-12(7-11)10(2)6-16(18-13)19-14-8-17-9-15(14)20/h4-7,14-15,17,20H,3,8-9H2,1-2H3,(H,18,19)/t14-,15-/m1/s1
InChIKeyGIBKRYYPUNMRIR-HUUCEWRRSA-N
MW271.36 g/mol
LogP1.85
Rot. Bonds3

About (3R,4R)-4-[(6-ethyl-4-methylquinolin-2-yl)amino]pyrrolidin-3-ol

(3R,4R)-4-[(6-ethyl-4-methylquinolin-2-yl)amino]pyrrolidin-3-ol (PubChem CID 67441137) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (3R,4R)-4-[(6-ethyl-4-methylquinolin-2-yl)amino]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[(6-ethyl-4-methylquinolin-2-yl)amino]pyrrolidin-3-ol
PubChem CID67441137
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(3R,4R)-4-[(6-ethyl-4-methylquinolin-2-yl)amino]pyrrolidin-3-ol
SMILESCCc1ccc2nc(N[C@@H]3CNC[C@H]3O)cc(C)c2c1
InChIInChI=1S/C16H21N3O/c1-3-11-4-5-13-12(7-11)10(2)6-16(18-13)19-14-8-17-9-15(14)20/h4-7,14-15,17,20H,3,8-9H2,1-2H3,(H,18,19)/t14-,15-/m1/s1
InChIKeyGIBKRYYPUNMRIR-HUUCEWRRSA-N
XLogP1.85
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[(6-ethyl-4-methylquinolin-2-yl)amino]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-[(6-ethyl-4-methylquinolin-2-yl)amino]pyrrolidin-3-ol (CID 67441137) is (3R,4R)-4-[(6-ethyl-4-methylquinolin-2-yl)amino]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[(6-ethyl-4-methylquinolin-2-yl)amino]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-[(6-ethyl-4-methylquinolin-2-yl)amino]pyrrolidin-3-ol is CCc1ccc2nc(N[C@@H]3CNC[C@H]3O)cc(C)c2c1.
What is the InChIKey of (3R,4R)-4-[(6-ethyl-4-methylquinolin-2-yl)amino]pyrrolidin-3-ol?
The InChIKey is GIBKRYYPUNMRIR-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-11-4-5-13-12(7-11)10(2)6-16(18-13)19-14-8-17-9-15(14)20/h4-7,14-15,17,20H,3,8-9H2,1-2H3,(H,18,19)/t14-,15-/m1/s1.
What are the key properties of (3R,4R)-4-[(6-ethyl-4-methylquinolin-2-yl)amino]pyrrolidin-3-ol?
(3R,4R)-4-[(6-ethyl-4-methylquinolin-2-yl)amino]pyrrolidin-3-ol has a molecular weight of 271.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[(6-ethyl-4-methylquinolin-2-yl)amino]pyrrolidin-3-ol is sourced from PubChem (CID 67441137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).