2-[(3S)-1-(6-chloroquinolin-2-yl)pyrrolidin-3-yl]propan-2-ol

C16H19ClN2O — CID 164634251

IUPAC2-[(3S)-1-(6-chloroquinolin-2-yl)pyrrolidin-3-yl]propan-2-ol
SMILESCC(C)(O)[C@H]1CCN(c2ccc3cc(Cl)ccc3n2)C1
InChIInChI=1S/C16H19ClN2O/c1-16(2,20)12-7-8-19(10-12)15-6-3-11-9-13(17)4-5-14(11)18-15/h3-6,9,12,20H,7-8,10H2,1-2H3/t12-/m0/s1
InChIKeyHYOMFKZFANSCRO-LBPRGKRZSA-N
MW290.79 g/mol
LogP3.49
Rot. Bonds2

About 2-[(3S)-1-(6-chloroquinolin-2-yl)pyrrolidin-3-yl]propan-2-ol

2-[(3S)-1-(6-chloroquinolin-2-yl)pyrrolidin-3-yl]propan-2-ol (PubChem CID 164634251) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 2-[(3S)-1-(6-chloroquinolin-2-yl)pyrrolidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(3S)-1-(6-chloroquinolin-2-yl)pyrrolidin-3-yl]propan-2-ol
PubChem CID164634251
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name2-[(3S)-1-(6-chloroquinolin-2-yl)pyrrolidin-3-yl]propan-2-ol
SMILESCC(C)(O)[C@H]1CCN(c2ccc3cc(Cl)ccc3n2)C1
InChIInChI=1S/C16H19ClN2O/c1-16(2,20)12-7-8-19(10-12)15-6-3-11-9-13(17)4-5-14(11)18-15/h3-6,9,12,20H,7-8,10H2,1-2H3/t12-/m0/s1
InChIKeyHYOMFKZFANSCRO-LBPRGKRZSA-N
XLogP3.49
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Chloro-4-methyl-2-morpholinoquinoline
CID 1477208
6-Chloro-2-(4-cyclopropyl-piperazin-1-yl)-quinoline
CID 11279886
6-Chloro-2-(4-methyl-piperazinyl)-quinoline
CID 12741697
3-[(2-chloro-5-methyl-6H-indolo[2,3-b]quinolin-11-ylidene)amino]propan-1-ol
CID 136264086
3-(4-Chlorophenyl)-2-(1-pyrrolidinyl)quinoline
CID 1486694
6-chloro-4-N-methyl-2-N-[2-(1-methylpyrrolidin-3-yl)ethyl]quinazoline-2,4-diamine
CID 25179305
2-[(2-Chlorophenanthridin-6-yl)amino]butan-1-ol
CID 287384
6-Chloro-4-phenyl-2-(piperidin-1-yl)quinoline
CID 3619802
(e)-(1-(6-(2-(6-Chloro-4-(dimethylamino)quinazolin-2-yl)vinyl)pyridin-2-yl)pyrrolidin-3-yl)methanol
CID 72706608
1-(6-(2-(6-Chloro-4-(dimethylamino)quinazolin-2-yl)ethyl)pyridin-2-yl)pyrrolidin-3-ol
CID 72706676
(1-(6-(2-(6-Chloro-4-(dimethylamino)quinazolin-2-yl)ethyl)pyridin-2-yl)pyrrolidin-3-yl)methanol
CID 72706737
2-[6-Chloro-4-(2-chlorophenyl)-2-(1-piperidyl)-3-quinolyl]ethanol
CID 53320962

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(6-chloroquinolin-2-yl)pyrrolidin-3-yl]propan-2-ol?
The IUPAC name of 2-[(3S)-1-(6-chloroquinolin-2-yl)pyrrolidin-3-yl]propan-2-ol (CID 164634251) is 2-[(3S)-1-(6-chloroquinolin-2-yl)pyrrolidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[(3S)-1-(6-chloroquinolin-2-yl)pyrrolidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[(3S)-1-(6-chloroquinolin-2-yl)pyrrolidin-3-yl]propan-2-ol is CC(C)(O)[C@H]1CCN(c2ccc3cc(Cl)ccc3n2)C1.
What is the InChIKey of 2-[(3S)-1-(6-chloroquinolin-2-yl)pyrrolidin-3-yl]propan-2-ol?
The InChIKey is HYOMFKZFANSCRO-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-16(2,20)12-7-8-19(10-12)15-6-3-11-9-13(17)4-5-14(11)18-15/h3-6,9,12,20H,7-8,10H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-[(3S)-1-(6-chloroquinolin-2-yl)pyrrolidin-3-yl]propan-2-ol?
2-[(3S)-1-(6-chloroquinolin-2-yl)pyrrolidin-3-yl]propan-2-ol has a molecular weight of 290.79 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(6-chloroquinolin-2-yl)pyrrolidin-3-yl]propan-2-ol is sourced from PubChem (CID 164634251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).