1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol

C13H13ClN2O2 — CID 106673359

IUPAC1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol
SMILESOC1CN(c2ccnc3cc(Cl)ccc23)CC1O
InChIInChI=1S/C13H13ClN2O2/c14-8-1-2-9-10(5-8)15-4-3-11(9)16-6-12(17)13(18)7-16/h1-5,12-13,17-18H,6-7H2
InChIKeyREDXBFLFBHWKSD-UHFFFAOYSA-N
MW264.71 g/mol
LogP1.43
Rot. Bonds1

About 1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol

1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol (PubChem CID 106673359) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol
PubChem CID106673359
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol
SMILESOC1CN(c2ccnc3cc(Cl)ccc23)CC1O
InChIInChI=1S/C13H13ClN2O2/c14-8-1-2-9-10(5-8)15-4-3-11(9)16-6-12(17)13(18)7-16/h1-5,12-13,17-18H,6-7H2
InChIKeyREDXBFLFBHWKSD-UHFFFAOYSA-N
XLogP1.43
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-chloroquinolin-4-yl)azetidin-3-amine
CID 63759432
(3R,4R)-1-(7-chloroquinolin-4-yl)-4-(hydroxymethyl)piperidin-3-ol
CID 56904897
(3S,4S)-1-(7-chloroquinolin-4-yl)-3-(hydroxymethyl)piperidin-4-ol
CID 155498947
4-(3-bromopyrrolidin-1-yl)-7-chloroquinoline
CID 80669691
7-chloro-4-(3-methylpiperazin-1-yl)quinoline
CID 21101961
1-(7-chloroquinolin-4-yl)azepan-3-amine
CID 70760365
[4-(7-chloroquinolin-4-yl)morpholin-2-yl]methanol
CID 79839533
4-(7-chloroquinolin-4-yl)-2-ethyl-6-methylmorpholine
CID 133299117
[4-(7-chloroquinolin-4-yl)-6-methylmorpholin-2-yl]methanamine
CID 102938625
1-[4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]phenyl]ethanone
CID 4885142
7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide
CID 49431104

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol (CID 106673359) is 1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol is OC1CN(c2ccnc3cc(Cl)ccc23)CC1O.
What is the InChIKey of 1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol?
The InChIKey is REDXBFLFBHWKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c14-8-1-2-9-10(5-8)15-4-3-11(9)16-6-12(17)13(18)7-16/h1-5,12-13,17-18H,6-7H2.
What are the key properties of 1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol?
1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol has a molecular weight of 264.71 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106673359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).