[4-(2-indolo[3,2-b]quinoxalin-6-ylethyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

C25H27N5O2 — CID 35045548

IUPAC[4-(2-indolo[3,2-b]quinoxalin-6-ylethyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCN(CCn2c3ccccc3c3nc4ccccc4nc32)CC1
InChIInChI=1S/C25H27N5O2/c31-25(22-10-5-17-32-22)29-14-11-28(12-15-29)13-16-30-21-9-4-1-6-18(21)23-24(30)27-20-8-3-2-7-19(20)26-23/h1-4,6-9,22H,5,10-17H2/t22-/m0/s1
InChIKeyJYQQHGTVVDKFCR-QFIPXVFZSA-N
MW429.52 g/mol
LogP3.06
Rot. Bonds4

About [4-(2-indolo[3,2-b]quinoxalin-6-ylethyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

[4-(2-indolo[3,2-b]quinoxalin-6-ylethyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (PubChem CID 35045548) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is [4-(2-indolo[3,2-b]quinoxalin-6-ylethyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-(2-indolo[3,2-b]quinoxalin-6-ylethyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
PubChem CID35045548
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name[4-(2-indolo[3,2-b]quinoxalin-6-ylethyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCN(CCn2c3ccccc3c3nc4ccccc4nc32)CC1
InChIInChI=1S/C25H27N5O2/c31-25(22-10-5-17-32-22)29-14-11-28(12-15-29)13-16-30-21-9-4-1-6-18(21)23-24(30)27-20-8-3-2-7-19(20)26-23/h1-4,6-9,22H,5,10-17H2/t22-/m0/s1
InChIKeyJYQQHGTVVDKFCR-QFIPXVFZSA-N
XLogP3.06
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(2-indolo[3,2-b]quinoxalin-6-ylethyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone with MolForge

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Related Compounds

3-indolo[3,2-b]quinoxalin-6-yl-N-(oxolan-2-ylmethyl)propanamide
CID 108794711
10-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]acridin-9-one
CID 55515627
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113073657
[4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 18129591
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 9237767
N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 2979685
[(2S)-oxolan-2-yl]-[4-[5-(5-phenyltetrazol-2-yl)pentyl]piperazin-1-yl]methanone
CID 52525383
2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 56808191
oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108741501
1-benzyl-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 46393085
oxolan-2-yl-[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947350
6-methyl-2-[2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913559

Frequently Asked Questions

What is the IUPAC name of [4-(2-indolo[3,2-b]quinoxalin-6-ylethyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The IUPAC name of [4-(2-indolo[3,2-b]quinoxalin-6-ylethyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone (CID 35045548) is [4-(2-indolo[3,2-b]quinoxalin-6-ylethyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-(2-indolo[3,2-b]quinoxalin-6-ylethyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The canonical SMILES for [4-(2-indolo[3,2-b]quinoxalin-6-ylethyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is O=C([C@@H]1CCCO1)N1CCN(CCn2c3ccccc3c3nc4ccccc4nc32)CC1.
What is the InChIKey of [4-(2-indolo[3,2-b]quinoxalin-6-ylethyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
The InChIKey is JYQQHGTVVDKFCR-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H27N5O2/c31-25(22-10-5-17-32-22)29-14-11-28(12-15-29)13-16-30-21-9-4-1-6-18(21)23-24(30)27-20-8-3-2-7-19(20)26-23/h1-4,6-9,22H,5,10-17H2/t22-/m0/s1.
What are the key properties of [4-(2-indolo[3,2-b]quinoxalin-6-ylethyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone?
[4-(2-indolo[3,2-b]quinoxalin-6-ylethyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone has a molecular weight of 429.52 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-indolo[3,2-b]quinoxalin-6-ylethyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone is sourced from PubChem (CID 35045548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).