5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol

C14H15ClN2O — CID 716609

IUPAC5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
SMILESOc1c(CN2CCCC2)cc(Cl)c2cccnc12
InChIInChI=1S/C14H15ClN2O/c15-12-8-10(9-17-6-1-2-7-17)14(18)13-11(12)4-3-5-16-13/h3-5,8,18H,1-2,6-7,9H2
InChIKeyRDPPAFUSURGOAA-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.19
Rot. Bonds2

About 5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol

5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol (PubChem CID 716609) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol.

Molecular Properties

Compound Name5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
PubChem CID716609
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
SMILESOc1c(CN2CCCC2)cc(Cl)c2cccnc12
InChIInChI=1S/C14H15ClN2O/c15-12-8-10(9-17-6-1-2-7-17)14(18)13-11(12)4-3-5-16-13/h3-5,8,18H,1-2,6-7,9H2
InChIKeyRDPPAFUSURGOAA-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,7-bis(piperidin-1-ylmethyl)quinolin-8-ol
CID 3470863
5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride
CID 131888000
5-methyl-7-(piperidin-1-ylmethyl)quinolin-8-ol
CID 23765907
N-[1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide
CID 91667484
2-[4-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 78333510
5-chloro-7-(chloromethyl)quinolin-8-ol
CID 4702114
5-(ethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol
CID 23604739
5-chloro-8-(pyridin-2-ylmethoxy)-7-(pyrrolidin-1-ylmethyl)quinoline
CID 4702087
1-[1-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]piperidin-4-yl]-1-methyl-3-phenylurea
CID 91667442
16-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]-1-oxa-7,10,13-trithia-4,16-diazacyclooctadecan-5-one
CID 11103280
7-[[4-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2,5-dimethylpiperazin-1-yl]methyl]-5-methylquinolin-8-ol
CID 157165811
5-bromo-7-[(4-ethylpiperazin-1-yl)methyl]quinolin-8-ol
CID 18830094

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol?
The IUPAC name of 5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol (CID 716609) is 5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol.
What is the SMILES notation for 5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol?
The canonical SMILES for 5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol is Oc1c(CN2CCCC2)cc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol?
The InChIKey is RDPPAFUSURGOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-12-8-10(9-17-6-1-2-7-17)14(18)13-11(12)4-3-5-16-13/h3-5,8,18H,1-2,6-7,9H2.
What are the key properties of 5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol?
5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol has a molecular weight of 262.74 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol is sourced from PubChem (CID 716609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).