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

C23H24FNO3 — CID 16626302

IUPAC(3-fluorophenyl)-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methanone
SMILESCC1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1cccc(F)c1)OCCO3
InChIInChI=1S/C23H24FNO3/c1-15-18-12-20-21(28-10-9-27-20)13-19(18)23(7-2-3-8-23)14-25(15)22(26)16-5-4-6-17(24)11-16/h4-6,11-13,15H,2-3,7-10,14H2,1H3
InChIKeyPMPMBZXKWRVRHW-UHFFFAOYSA-N
MW381.45 g/mol
LogP4.63
Rot. Bonds1

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

(3-fluorophenyl)-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methanone (PubChem CID 16626302) has the molecular formula C23H24FNO3 and a molecular weight of 381.45 g/mol. Its IUPAC name is (3-fluorophenyl)-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methanone
PubChem CID16626302
Molecular FormulaC23H24FNO3
Molecular Weight381.45 g/mol
Exact Mass381.17
IUPAC Name(3-fluorophenyl)-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methanone
SMILESCC1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1cccc(F)c1)OCCO3
InChIInChI=1S/C23H24FNO3/c1-15-18-12-20-21(28-10-9-27-20)13-19(18)23(7-2-3-8-23)14-25(15)22(26)16-5-4-6-17(24)11-16/h4-6,11-13,15H,2-3,7-10,14H2,1H3
InChIKeyPMPMBZXKWRVRHW-UHFFFAOYSA-N
XLogP4.63
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

Pumafentrine
CID 3052763
CX-546
CID 2890
5-[(4-Fluorophenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
CID 2151914
8-Oxopseudopalmatine
CID 392605
Iso-1 F-18
CID 16737780
Methyl 4-((2-(cyclopropanecarbonyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy)benzoate
CID 3239725
(4-methoxyphenyl)(7-methyl-3,4,9,10-tetrahydro-2H-[1,4]dioxepino[2,3-g]isoquinolin-8(7H)-yl)methanone
CID 16405434
2,3-Dihydro-1,4-benzodioxin-6-yl-(3-methylpiperidin-1-yl)methanone
CID 25162782
N-benzyl-N-tert-butyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 664485
2,3-Dihydro-1,4-benzodioxin-6-yl-(4-methylpiperidin-1-yl)methanone
CID 977526
1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-(3,4-dihydroisoquinolin-2(1H)-yl)propan-1-one hydrochloride
CID 2894305
(6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)(2-fluorophenyl)methanone
CID 3652381

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methanone (CID 16626302) is (3-fluorophenyl)-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methanone is CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1cccc(F)c1)OCCO3.
What is the InChIKey of (3-fluorophenyl)-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methanone?
The InChIKey is PMPMBZXKWRVRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO3/c1-15-18-12-20-21(28-10-9-27-20)13-19(18)23(7-2-3-8-23)14-25(15)22(26)16-5-4-6-17(24)11-16/h4-6,11-13,15H,2-3,7-10,14H2,1H3.
What are the key properties of (3-fluorophenyl)-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methanone?
(3-fluorophenyl)-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methanone has a molecular weight of 381.45 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methanone is sourced from PubChem (CID 16626302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).