2-[(3S)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline

C23H25N3O2 — CID 58548030

IUPAC2-[(3S)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline
SMILESc1cnc(O[C@H]2CCN(c3ccc4ccccc4n3)C2)c(C2CCOCC2)c1
InChIInChI=1S/C23H25N3O2/c1-2-6-21-18(4-1)7-8-22(25-21)26-13-9-19(16-26)28-23-20(5-3-12-24-23)17-10-14-27-15-11-17/h1-8,12,17,19H,9-11,13-16H2/t19-/m0/s1
InChIKeyDAZDQGSMKCXMPT-IBGZPJMESA-N
MW375.47 g/mol
LogP4.18
Rot. Bonds4

About 2-[(3S)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline

2-[(3S)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline (PubChem CID 58548030) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[(3S)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[(3S)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline
PubChem CID58548030
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-[(3S)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline
SMILESc1cnc(O[C@H]2CCN(c3ccc4ccccc4n3)C2)c(C2CCOCC2)c1
InChIInChI=1S/C23H25N3O2/c1-2-6-21-18(4-1)7-8-22(25-21)26-13-9-19(16-26)28-23-20(5-3-12-24-23)17-10-14-27-15-11-17/h1-8,12,17,19H,9-11,13-16H2/t19-/m0/s1
InChIKeyDAZDQGSMKCXMPT-IBGZPJMESA-N
XLogP4.18
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline with MolForge

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 2999577
5-{2-[4-(1H-Pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-ethoxy}-quinoline
CID 9842337
1-[4-[2-[3-(Quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 54759922
US10167270, Example 127
CID 124168452
[1-[5-(2-Methoxy-3-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol
CID 54671054
2-Methoxy-1-[4-[2-[3-(quinolin-2-ylamino)cyclobutyl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 54759926
[1-[5-(2-Methyl-4-pyridinyl)-4-(1-quinolin-2-ylazetidin-3-yl)oxypyrimidin-2-yl]piperidin-4-yl]methanol
CID 58547736
2-[4-[2-[2,8-Bis(trifluoromethyl)quinolin-4-yl]oxyethyl]piperidin-1-yl]pyridin-4-amine
CID 44536025
4-[3-[4-(Quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]morpholine
CID 71455564
6-[3-[4-(quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridine
CID 71455565
9-Methyl-3-[2-[(3-pyridin-4-yl-2-pyridinyl)oxy]ethyl]pyrido[2,3-b]indole
CID 90656268
[1-[2-(1-Quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol
CID 118721671

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline?
The IUPAC name of 2-[(3S)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline (CID 58548030) is 2-[(3S)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline.
What is the SMILES notation for 2-[(3S)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline?
The canonical SMILES for 2-[(3S)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline is c1cnc(O[C@H]2CCN(c3ccc4ccccc4n3)C2)c(C2CCOCC2)c1.
What is the InChIKey of 2-[(3S)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline?
The InChIKey is DAZDQGSMKCXMPT-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25N3O2/c1-2-6-21-18(4-1)7-8-22(25-21)26-13-9-19(16-26)28-23-20(5-3-12-24-23)17-10-14-27-15-11-17/h1-8,12,17,19H,9-11,13-16H2/t19-/m0/s1.
What are the key properties of 2-[(3S)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline?
2-[(3S)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline has a molecular weight of 375.47 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline is sourced from PubChem (CID 58548030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).