[(6S)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]-pyrazin-2-ylmethanone

C21H23N3O3 — CID 51476588

IUPAC[(6S)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]-pyrazin-2-ylmethanone
SMILESC[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1cnccn1)OCCO3
InChIInChI=1S/C21H23N3O3/c1-14-15-10-18-19(27-9-8-26-18)11-16(15)21(4-2-3-5-21)13-24(14)20(25)17-12-22-6-7-23-17/h6-7,10-12,14H,2-5,8-9,13H2,1H3/t14-/m0/s1
InChIKeyAAUMYDGLAOVNOA-AWEZNQCLSA-N
MW365.43 g/mol
LogP3.28
Rot. Bonds1

About [(6S)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]-pyrazin-2-ylmethanone

[(6S)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]-pyrazin-2-ylmethanone (PubChem CID 51476588) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is [(6S)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(6S)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]-pyrazin-2-ylmethanone
PubChem CID51476588
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name[(6S)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]-pyrazin-2-ylmethanone
SMILESC[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1cnccn1)OCCO3
InChIInChI=1S/C21H23N3O3/c1-14-15-10-18-19(27-9-8-26-18)11-16(15)21(4-2-3-5-21)13-24(14)20(25)17-12-22-6-7-23-17/h6-7,10-12,14H,2-5,8-9,13H2,1H3/t14-/m0/s1
InChIKeyAAUMYDGLAOVNOA-AWEZNQCLSA-N
XLogP3.28
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(6S)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]-pyrazin-2-ylmethanone with MolForge

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Related Compounds

(3-fluorophenyl)-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methanone
CID 16626302
[(2S,4S)-2-methylpiperidin-4-yl]-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methanone;hydrochloride
CID 120619510
1-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 55526599
N-(2-fluorophenyl)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-carbothioamide
CID 166199988
4-[(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methyl]benzamide
CID 75657754
4,6-dimethyl-5-[3-[(6R)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 41468345
3-methyl-4-(pyrazine-2-carbonyl)piperazine-2,6-dione
CID 66060995
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 51253826
2,3-dihydro-1,4-benzodioxin-6-yl-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816095
(6R)-7-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]
CID 52502310
[(3R,5R)-3-methyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
CID 97488597
(1S,7S)-1-methyl-8-(pyrazine-2-carbonyl)-2,8-diazabicyclo[5.5.0]dodecan-3-one
CID 110126154

Frequently Asked Questions

What is the IUPAC name of [(6S)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(6S)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]-pyrazin-2-ylmethanone (CID 51476588) is [(6S)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(6S)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(6S)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]-pyrazin-2-ylmethanone is C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1cnccn1)OCCO3.
What is the InChIKey of [(6S)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]-pyrazin-2-ylmethanone?
The InChIKey is AAUMYDGLAOVNOA-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-15-10-18-19(27-9-8-26-18)11-16(15)21(4-2-3-5-21)13-24(14)20(25)17-12-22-6-7-23-17/h6-7,10-12,14H,2-5,8-9,13H2,1H3/t14-/m0/s1.
What are the key properties of [(6S)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]-pyrazin-2-ylmethanone?
[(6S)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]-pyrazin-2-ylmethanone has a molecular weight of 365.43 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 51476588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).