(3S,4R)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol

C18H21ClN2O2 — CID 129352772

IUPAC(3S,4R)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
SMILESO[C@@H]1CCOC[C@@H]1[C@@H]1CCCN1c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C18H21ClN2O2/c19-12-3-4-13-15(10-12)20-7-5-17(13)21-8-1-2-16(21)14-11-23-9-6-18(14)22/h3-5,7,10,14,16,18,22H,1-2,6,8-9,11H2/t14-,16+,18-/m1/s1
InChIKeyPOMWRXCLVSWHKO-UWWQBHOKSA-N
MW332.83 g/mol
LogP3.25
Rot. Bonds2

About (3S,4R)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol

(3S,4R)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol (PubChem CID 129352772) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is (3S,4R)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
PubChem CID129352772
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name(3S,4R)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
SMILESO[C@@H]1CCOC[C@@H]1[C@@H]1CCCN1c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C18H21ClN2O2/c19-12-3-4-13-15(10-12)20-7-5-17(13)21-8-1-2-16(21)14-11-23-9-6-18(14)22/h3-5,7,10,14,16,18,22H,1-2,6,8-9,11H2/t14-,16+,18-/m1/s1
InChIKeyPOMWRXCLVSWHKO-UWWQBHOKSA-N
XLogP3.25
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol with MolForge

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Related Compounds

(3S,4S)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol
CID 129482350
3-(1-thieno[3,2-b]pyridin-7-ylpyrrolidin-2-yl)oxan-4-ol
CID 154755579
(3R,4R)-3-[(2S)-1-(5-chloro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol
CID 129352736
(3S,4R)-3-[(2R)-1-(5-chloro-2-pyridinyl)pyrrolidin-2-yl]oxan-4-ol
CID 129352735
(3R,4R)-3-[(2S)-1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129491886
methyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate
CID 104775264
1-(7-chloroquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 134032257
1-(7-chloroquinolin-4-yl)piperidine-2-carboxamide
CID 173119535
1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol
CID 106673359
1-[1-(7-chloroquinolin-4-yl)piperidin-2-yl]-N-methylmethanamine
CID 62588180
(5S)-9-(7-chloroquinolin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 97200285
(3S,4R)-3-[(2S)-1-(5-fluoroquinazolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
CID 100684861

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol?
The IUPAC name of (3S,4R)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol (CID 129352772) is (3S,4R)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol.
What is the SMILES notation for (3S,4R)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol?
The canonical SMILES for (3S,4R)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol is O[C@@H]1CCOC[C@@H]1[C@@H]1CCCN1c1ccnc2cc(Cl)ccc12.
What is the InChIKey of (3S,4R)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol?
The InChIKey is POMWRXCLVSWHKO-UWWQBHOKSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c19-12-3-4-13-15(10-12)20-7-5-17(13)21-8-1-2-16(21)14-11-23-9-6-18(14)22/h3-5,7,10,14,16,18,22H,1-2,6,8-9,11H2/t14-,16+,18-/m1/s1.
What are the key properties of (3S,4R)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol?
(3S,4R)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol has a molecular weight of 332.83 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol is sourced from PubChem (CID 129352772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).