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

C24H28N2O3 — CID 75657754

IUPAC4-[(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methyl]benzamide
SMILESCC1c2cc3c(cc2C2(CCCC2)CN1Cc1ccc(C(N)=O)cc1)OCCO3
InChIInChI=1S/C24H28N2O3/c1-16-19-12-21-22(29-11-10-28-21)13-20(19)24(8-2-3-9-24)15-26(16)14-17-4-6-18(7-5-17)23(25)27/h4-7,12-13,16H,2-3,8-11,14-15H2,1H3,(H2,25,27)
InChIKeyJXCOTTILIFKJNU-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.95
Rot. Bonds3

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

4-[(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methyl]benzamide (PubChem CID 75657754) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-[(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methyl]benzamide
PubChem CID75657754
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name4-[(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methyl]benzamide
SMILESCC1c2cc3c(cc2C2(CCCC2)CN1Cc1ccc(C(N)=O)cc1)OCCO3
InChIInChI=1S/C24H28N2O3/c1-16-19-12-21-22(29-11-10-28-21)13-20(19)24(8-2-3-9-24)15-26(16)14-17-4-6-18(7-5-17)23(25)27/h4-7,12-13,16H,2-3,8-11,14-15H2,1H3,(H2,25,27)
InChIKeyJXCOTTILIFKJNU-UHFFFAOYSA-N
XLogP3.95
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methyl]benzamide?
The IUPAC name of 4-[(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methyl]benzamide (CID 75657754) is 4-[(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methyl]benzamide.
What is the SMILES notation for 4-[(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methyl]benzamide?
The canonical SMILES for 4-[(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methyl]benzamide is CC1c2cc3c(cc2C2(CCCC2)CN1Cc1ccc(C(N)=O)cc1)OCCO3.
What is the InChIKey of 4-[(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methyl]benzamide?
The InChIKey is JXCOTTILIFKJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-16-19-12-21-22(29-11-10-28-21)13-20(19)24(8-2-3-9-24)15-26(16)14-17-4-6-18(7-5-17)23(25)27/h4-7,12-13,16H,2-3,8-11,14-15H2,1H3,(H2,25,27).
What are the key properties of 4-[(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methyl]benzamide?
4-[(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methyl]benzamide has a molecular weight of 392.50 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)methyl]benzamide is sourced from PubChem (CID 75657754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).