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

C19H23ClN2O2 — CID 129482350

IUPAC(3S,4S)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol
SMILESC[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C19H23ClN2O2/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
InChIKeyBVSHYUONDMYZFZ-MNEFBYGVSA-N
MW346.86 g/mol
LogP3.64
Rot. Bonds2

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

(3S,4S)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol (PubChem CID 129482350) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is (3S,4S)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol
PubChem CID129482350
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name(3S,4S)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol
SMILESC[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C19H23ClN2O2/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
InChIKeyBVSHYUONDMYZFZ-MNEFBYGVSA-N
XLogP3.64
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3S,4R)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129352772
(3R,4S)-3-[(2S)-1-(2-benzylpyrimidin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol
CID 129482911
methyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate
CID 104775264
(3R,4R)-3-[(2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-2-yl]-4-methyloxan-4-ol
CID 129482675
(3R,4S)-3-[(2R)-1-(5-bromo-2-pyridinyl)pyrrolidin-2-yl]-4-methyloxan-4-ol
CID 129483548
(3R,4S)-4-methyl-3-[(2R)-1-quinolin-2-ylpyrrolidin-2-yl]oxan-4-ol
CID 129482891
1-(7-chloroquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 134032257
(3S,4R)-4-methyl-3-[(2R)-1-(5-methylquinazolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129482303
1-(7-chloroquinolin-4-yl)piperidine-2-carboxamide
CID 173119535
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
4-(7-chloroquinolin-4-yl)-2,2-dimethylmorpholine
CID 78871227

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol?
The IUPAC name of (3S,4S)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol (CID 129482350) is (3S,4S)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol.
What is the SMILES notation for (3S,4S)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol?
The canonical SMILES for (3S,4S)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol is C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1c1ccnc2cc(Cl)ccc12.
What is the InChIKey of (3S,4S)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol?
The InChIKey is BVSHYUONDMYZFZ-MNEFBYGVSA-N. The full InChI is InChI=1S/C19H23ClN2O2/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-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol?
(3S,4S)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol has a molecular weight of 346.86 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol is sourced from PubChem (CID 129482350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).