(3R,4R)-1-(7-chloro-4-methylquinolin-2-yl)-4-fluoropyrrolidin-3-ol

C14H14ClFN2O — CID 135119558

IUPAC(3R,4R)-1-(7-chloro-4-methylquinolin-2-yl)-4-fluoropyrrolidin-3-ol
SMILESCc1cc(N2C[C@@H](O)[C@H](F)C2)nc2cc(Cl)ccc12
InChIInChI=1S/C14H14ClFN2O/c1-8-4-14(18-6-11(16)13(19)7-18)17-12-5-9(15)2-3-10(8)12/h2-5,11,13,19H,6-7H2,1H3/t11-,13-/m1/s1
InChIKeyRGDIIBYESZBOAI-DGCLKSJQSA-N
MW280.73 g/mol
LogP2.72
Rot. Bonds1

About (3R,4R)-1-(7-chloro-4-methylquinolin-2-yl)-4-fluoropyrrolidin-3-ol

(3R,4R)-1-(7-chloro-4-methylquinolin-2-yl)-4-fluoropyrrolidin-3-ol (PubChem CID 135119558) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is (3R,4R)-1-(7-chloro-4-methylquinolin-2-yl)-4-fluoropyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(7-chloro-4-methylquinolin-2-yl)-4-fluoropyrrolidin-3-ol
PubChem CID135119558
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name(3R,4R)-1-(7-chloro-4-methylquinolin-2-yl)-4-fluoropyrrolidin-3-ol
SMILESCc1cc(N2C[C@@H](O)[C@H](F)C2)nc2cc(Cl)ccc12
InChIInChI=1S/C14H14ClFN2O/c1-8-4-14(18-6-11(16)13(19)7-18)17-12-5-9(15)2-3-10(8)12/h2-5,11,13,19H,6-7H2,1H3/t11-,13-/m1/s1
InChIKeyRGDIIBYESZBOAI-DGCLKSJQSA-N
XLogP2.72
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(7-chloro-4-methylquinolin-2-yl)-4-fluoropyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(7-chloro-4-methylquinolin-2-yl)-4-fluoropyrrolidin-3-ol (CID 135119558) is (3R,4R)-1-(7-chloro-4-methylquinolin-2-yl)-4-fluoropyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(7-chloro-4-methylquinolin-2-yl)-4-fluoropyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(7-chloro-4-methylquinolin-2-yl)-4-fluoropyrrolidin-3-ol is Cc1cc(N2C[C@@H](O)[C@H](F)C2)nc2cc(Cl)ccc12.
What is the InChIKey of (3R,4R)-1-(7-chloro-4-methylquinolin-2-yl)-4-fluoropyrrolidin-3-ol?
The InChIKey is RGDIIBYESZBOAI-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-8-4-14(18-6-11(16)13(19)7-18)17-12-5-9(15)2-3-10(8)12/h2-5,11,13,19H,6-7H2,1H3/t11-,13-/m1/s1.
What are the key properties of (3R,4R)-1-(7-chloro-4-methylquinolin-2-yl)-4-fluoropyrrolidin-3-ol?
(3R,4R)-1-(7-chloro-4-methylquinolin-2-yl)-4-fluoropyrrolidin-3-ol has a molecular weight of 280.73 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(7-chloro-4-methylquinolin-2-yl)-4-fluoropyrrolidin-3-ol is sourced from PubChem (CID 135119558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).