1-[(4-chloroquinolin-7-yl)methyl]pyrrolidin-3-ol

C14H15ClN2O — CID 175402022

IUPAC1-[(4-chloroquinolin-7-yl)methyl]pyrrolidin-3-ol
SMILESOC1CCN(Cc2ccc3c(Cl)ccnc3c2)C1
InChIInChI=1S/C14H15ClN2O/c15-13-3-5-16-14-7-10(1-2-12(13)14)8-17-6-4-11(18)9-17/h1-3,5,7,11,18H,4,6,8-9H2
InChIKeyDQNNJGVXRKBEGV-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.45
Rot. Bonds2

About 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidin-3-ol

1-[(4-chloroquinolin-7-yl)methyl]pyrrolidin-3-ol (PubChem CID 175402022) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(4-chloroquinolin-7-yl)methyl]pyrrolidin-3-ol
PubChem CID175402022
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name1-[(4-chloroquinolin-7-yl)methyl]pyrrolidin-3-ol
SMILESOC1CCN(Cc2ccc3c(Cl)ccnc3c2)C1
InChIInChI=1S/C14H15ClN2O/c15-13-3-5-16-14-7-10(1-2-12(13)14)8-17-6-4-11(18)9-17/h1-3,5,7,11,18H,4,6,8-9H2
InChIKeyDQNNJGVXRKBEGV-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-7-[[(3S)-3,5-dimethylpiperazin-1-yl]methyl]quinoline
CID 151469132
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
(3S)-1-[(3-bromo-4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103917989
1-[(4-chloroquinolin-7-yl)methyl]pyrrolidine-2,5-dione
CID 162469910
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626
(3R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-3-ol
CID 63365329
4-chloro-6-(piperidin-1-ylmethyl)quinoline
CID 138974871
(3R)-N-tert-butyl-1-[(4-chloroquinolin-7-yl)methyl]-2,4-dioxopyrrolidine-3-carboxamide
CID 20680699
4-chloro-7-[(4-chloroquinolin-7-yl)methoxymethyl]quinoline
CID 22054612
(3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-ol
CID 129494089
4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]benzonitrile
CID 78930300
(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-ol
CID 103881907

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidin-3-ol (CID 175402022) is 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidin-3-ol is OC1CCN(Cc2ccc3c(Cl)ccnc3c2)C1.
What is the InChIKey of 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidin-3-ol?
The InChIKey is DQNNJGVXRKBEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-13-3-5-16-14-7-10(1-2-12(13)14)8-17-6-4-11(18)9-17/h1-3,5,7,11,18H,4,6,8-9H2.
What are the key properties of 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidin-3-ol?
1-[(4-chloroquinolin-7-yl)methyl]pyrrolidin-3-ol has a molecular weight of 262.74 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloroquinolin-7-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 175402022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).