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

C24H25NO4 — CID 51930984

IUPAC[(2S)-2,3-dihydro-1-benzofuran-2-yl]-spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-ylmethanone
SMILESO=C([C@@H]1Cc2ccccc2O1)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3
InChIInChI=1S/C24H25NO4/c26-23(22-11-16-5-1-2-6-19(16)29-22)25-14-17-12-20-21(28-10-9-27-20)13-18(17)24(15-25)7-3-4-8-24/h1-2,5-6,12-13,22H,3-4,7-11,14-15H2/t22-/m0/s1
InChIKeyLJJBBFXHNIRJLF-QFIPXVFZSA-N
MW391.47 g/mol
LogP3.62
Rot. Bonds1

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

[(2S)-2,3-dihydro-1-benzofuran-2-yl]-spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-ylmethanone (PubChem CID 51930984) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is [(2S)-2,3-dihydro-1-benzofuran-2-yl]-spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-ylmethanone.

Molecular Properties

Compound Name[(2S)-2,3-dihydro-1-benzofuran-2-yl]-spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-ylmethanone
PubChem CID51930984
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name[(2S)-2,3-dihydro-1-benzofuran-2-yl]-spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-ylmethanone
SMILESO=C([C@@H]1Cc2ccccc2O1)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3
InChIInChI=1S/C24H25NO4/c26-23(22-11-16-5-1-2-6-19(16)29-22)25-14-17-12-20-21(28-10-9-27-20)13-18(17)24(15-25)7-3-4-8-24/h1-2,5-6,12-13,22H,3-4,7-11,14-15H2/t22-/m0/s1
InChIKeyLJJBBFXHNIRJLF-QFIPXVFZSA-N
XLogP3.62
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

2,3-dihydro-1-benzofuran-2-yl(piperidin-1-yl)methanone
CID 2842480
N,N-dimethyl-4-(spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-carbonyl)benzenesulfonamide
CID 26082601
4-(1,3-benzothiazol-2-yl)-1-spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-ylbutan-1-one
CID 26082603
[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-[(2R)-2,3-dihydro-1-benzofuran-2-yl]methanone
CID 41105049
1-(2,3-dihydro-1-benzofuran-2-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123309
3-(3,5-dimethoxyphenyl)-1-spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-ylpropan-1-one
CID 30780574
2,3-dihydro-1-benzofuran-2-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304626
2,3-dihydro-1-benzofuran-2-yl-(10-methoxy-2,3,4,6-tetrahydro-1,5-benzoxazocin-5-yl)methanone
CID 77084904
2,3-dihydro-1-benzofuran-2-yl(piperazin-1-yl)methanone;hydrochloride
CID 119402574
2,3-dihydro-1-benzofuran-2-yl-(3,3-dimethylpiperazin-1-yl)methanone
CID 79506868
(6,7-dimethoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclohexane]-2-yl)-(oxolan-2-yl)methanone
CID 110428590
[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 51238687

Frequently Asked Questions

What is the IUPAC name of [(2S)-2,3-dihydro-1-benzofuran-2-yl]-spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-ylmethanone?
The IUPAC name of [(2S)-2,3-dihydro-1-benzofuran-2-yl]-spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-ylmethanone (CID 51930984) is [(2S)-2,3-dihydro-1-benzofuran-2-yl]-spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-ylmethanone.
What is the SMILES notation for [(2S)-2,3-dihydro-1-benzofuran-2-yl]-spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-ylmethanone?
The canonical SMILES for [(2S)-2,3-dihydro-1-benzofuran-2-yl]-spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-ylmethanone is O=C([C@@H]1Cc2ccccc2O1)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3.
What is the InChIKey of [(2S)-2,3-dihydro-1-benzofuran-2-yl]-spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-ylmethanone?
The InChIKey is LJJBBFXHNIRJLF-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H25NO4/c26-23(22-11-16-5-1-2-6-19(16)29-22)25-14-17-12-20-21(28-10-9-27-20)13-18(17)24(15-25)7-3-4-8-24/h1-2,5-6,12-13,22H,3-4,7-11,14-15H2/t22-/m0/s1.
What are the key properties of [(2S)-2,3-dihydro-1-benzofuran-2-yl]-spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-ylmethanone?
[(2S)-2,3-dihydro-1-benzofuran-2-yl]-spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-ylmethanone has a molecular weight of 391.47 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,3-dihydro-1-benzofuran-2-yl]-spiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-ylmethanone is sourced from PubChem (CID 51930984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).