[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone

C26H29N3O3 — CID 97013755

IUPAC[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C26H29N3O3/c30-26(21-8-10-23(11-9-21)32-19-24-7-3-17-31-24)29-15-13-28(14-16-29)18-22-5-1-4-20-6-2-12-27-25(20)22/h1-2,4-6,8-12,24H,3,7,13-19H2/t24-/m0/s1
InChIKeyBGWCMTKOCCUWGR-DEOSSOPVSA-N
MW431.54 g/mol
LogP3.75
Rot. Bonds6

About [4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone

[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone (PubChem CID 97013755) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is [4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
PubChem CID97013755
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C26H29N3O3/c30-26(21-8-10-23(11-9-21)32-19-24-7-3-17-31-24)29-15-13-28(14-16-29)18-22-5-1-4-20-6-2-12-27-25(20)22/h1-2,4-6,8-12,24H,3,7,13-19H2/t24-/m0/s1
InChIKeyBGWCMTKOCCUWGR-DEOSSOPVSA-N
XLogP3.75
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777666
[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 86908238
(4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16609697
(4-pyrazol-1-ylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16623005
[4-(pyrazol-1-ylmethyl)phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16623056
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 3280482
7-[[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 42920599
N-methoxy-4-[4-(quinolin-8-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55706599
(3,5-dimethoxy-4-methylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 55512963
N-[4-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 77403363
(4-methyl-3-nitrophenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16962419
[(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124699629

Frequently Asked Questions

What is the IUPAC name of [4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone (CID 97013755) is [4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone is O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(Cc2cccc3cccnc23)CC1.
What is the InChIKey of [4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is BGWCMTKOCCUWGR-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H29N3O3/c30-26(21-8-10-23(11-9-21)32-19-24-7-3-17-31-24)29-15-13-28(14-16-29)18-22-5-1-4-20-6-2-12-27-25(20)22/h1-2,4-6,8-12,24H,3,7,13-19H2/t24-/m0/s1.
What are the key properties of [4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone?
[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 431.54 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 97013755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).