[1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol

C14H15ClN2O — CID 137363110

IUPAC[1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(Cl)nc2ccccc12
InChIInChI=1S/C14H15ClN2O/c15-14-8-13(17-7-3-4-10(17)9-18)11-5-1-2-6-12(11)16-14/h1-2,5-6,8,10,18H,3-4,7,9H2
InChIKeyUJQTYIRXCODVSX-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.85
Rot. Bonds2

About [1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol

[1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 137363110) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is [1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol
PubChem CID137363110
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name[1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(Cl)nc2ccccc12
InChIInChI=1S/C14H15ClN2O/c15-14-8-13(17-7-3-4-10(17)9-18)11-5-1-2-6-12(11)16-14/h1-2,5-6,8,10,18H,3-4,7,9H2
InChIKeyUJQTYIRXCODVSX-UHFFFAOYSA-N
XLogP2.85
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[1-(2-methylquinolin-4-yl)piperidin-2-yl]methanol
CID 60716376
[(2S)-1-[2-(4-chlorophenyl)quinolin-4-yl]piperidin-2-yl]methanol;dihydrochloride
CID 122509335
(2-chloroquinolin-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107877398
4-[2-(chloromethyl)pyrrolidin-1-yl]-2-methylquinoline
CID 55184612
(1-quinolin-4-ylpiperidin-2-yl)methanol
CID 61339741
[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 115914691
2-(chloromethyl)-4-(2-ethylpiperidin-1-yl)quinoline
CID 63445345
[(2S)-1-anthracen-1-ylpyrrolidin-2-yl]methanol
CID 139951713
[(2S)-1-(7-amino-2-methylquinolin-4-yl)pyrrolidin-2-yl]methanol
CID 69305279
2-(chloromethyl)-4-(2-methylpiperidin-1-yl)quinoline
CID 63375255
2-[1-(2-chloroquinazolin-4-yl)pyrrolidin-2-yl]ethanol
CID 112748767
[1-(2,3-dichlorophenyl)pyrrolidin-2-yl]methanol
CID 117028440

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol (CID 137363110) is [1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol is OCC1CCCN1c1cc(Cl)nc2ccccc12.
What is the InChIKey of [1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is UJQTYIRXCODVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-14-8-13(17-7-3-4-10(17)9-18)11-5-1-2-6-12(11)16-14/h1-2,5-6,8,10,18H,3-4,7,9H2.
What are the key properties of [1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol?
[1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 262.74 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 137363110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).