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

C19H23FN2O2 — CID 129351309

IUPAC(3S,4S)-3-[(2R)-1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol
SMILESC[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1c1ccnc2cc(F)ccc12
InChIInChI=1S/C19H23FN2O2/c1-19(23)7-10-24-12-15(19)18-3-2-9-22(18)17-6-8-21-16-11-13(20)4-5-14(16)17/h4-6,8,11,15,18,23H,2-3,7,9-10,12H2,1H3/t15-,18-,19+/m1/s1
InChIKeyGEKXACIWTRHTCU-LZQZEXGQSA-N
MW330.40 g/mol
LogP3.13
Rot. Bonds2

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

(3S,4S)-3-[(2R)-1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol (PubChem CID 129351309) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is (3S,4S)-3-[(2R)-1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-[(2R)-1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol
PubChem CID129351309
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name(3S,4S)-3-[(2R)-1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol
SMILESC[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1c1ccnc2cc(F)ccc12
InChIInChI=1S/C19H23FN2O2/c1-19(23)7-10-24-12-15(19)18-3-2-9-22(18)17-6-8-21-16-11-13(20)4-5-14(16)17/h4-6,8,11,15,18,23H,2-3,7,9-10,12H2,1H3/t15-,18-,19+/m1/s1
InChIKeyGEKXACIWTRHTCU-LZQZEXGQSA-N
XLogP3.13
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

[1-[(1-ethyl-1H-indol-3-yl)methyl]-3-(4-fluorobenzyl)-3-piperidinyl]methanol
CID 23723306
4-[(5R,6R,9R,13S)-7-[(1-benzylindol-3-yl)methyl]-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]butan-1-ol
CID 145953326
(2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-3-ylmethyl)pyrrolidine-3,4-diol
CID 44568624
(2R,3R,4S)-2-(hydroxymethyl)-1-(quinolin-4-ylmethyl)pyrrolidine-3,4-diol
CID 44568625
1,9-dioxaspiro[5.5]undec-4-yl[3-(1H-indol-1-yl)propyl]amine
CID 70740533
[(3R*,4R*)-4-{[(2-methoxyethyl)(methyl)amino]methyl}-1-(quinolin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 72939379
[(2S)-1-[(5-fluoroquinolin-8-yl)methyl]pyrrolidin-2-yl]methanol
CID 53596877
Rac-1-ethoxy-2-(6-fluoroquinolin-4-yl)propan-2-ol
CID 166637374
Rac-2-(6-fluoroquinolin-4-yl)-1-propoxypropan-2-ol
CID 166637385
Rac-1-butoxy-2-(6-fluoroquinolin-4-yl)propan-2-ol
CID 166637403
(E,2R,3S)-3-phenyl-2-(quinolin-3-ylmethyl)non-4-en-1-ol
CID 16725119
{3-(4-fluorobenzyl)-1-[(1-methyl-1H-indol-3-yl)methyl]-3-piperidinyl}methanol
CID 45183780

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-[(2R)-1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol?
The IUPAC name of (3S,4S)-3-[(2R)-1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol (CID 129351309) is (3S,4S)-3-[(2R)-1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol.
What is the SMILES notation for (3S,4S)-3-[(2R)-1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol?
The canonical SMILES for (3S,4S)-3-[(2R)-1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol is C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1c1ccnc2cc(F)ccc12.
What is the InChIKey of (3S,4S)-3-[(2R)-1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol?
The InChIKey is GEKXACIWTRHTCU-LZQZEXGQSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-19(23)7-10-24-12-15(19)18-3-2-9-22(18)17-6-8-21-16-11-13(20)4-5-14(16)17/h4-6,8,11,15,18,23H,2-3,7,9-10,12H2,1H3/t15-,18-,19+/m1/s1.
What are the key properties of (3S,4S)-3-[(2R)-1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol?
(3S,4S)-3-[(2R)-1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol has a molecular weight of 330.40 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-[(2R)-1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol is sourced from PubChem (CID 129351309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).