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

C21H28N2O4 — CID 119699969

IUPAC(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)-morpholin-2-ylmethanone
SMILESCC1c2cc3c(cc2C2(CCCC2)CN1C(=O)C1CNCCO1)OCCO3
InChIInChI=1S/C21H28N2O4/c1-14-15-10-17-18(27-9-8-26-17)11-16(15)21(4-2-3-5-21)13-23(14)20(24)19-12-22-6-7-25-19/h10-11,14,19,22H,2-9,12-13H2,1H3
InChIKeySYKSACCGBTVKMB-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.16
Rot. Bonds1

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

(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)-morpholin-2-ylmethanone (PubChem CID 119699969) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is (6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)-morpholin-2-ylmethanone.

Molecular Properties

Compound Name(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)-morpholin-2-ylmethanone
PubChem CID119699969
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)-morpholin-2-ylmethanone
SMILESCC1c2cc3c(cc2C2(CCCC2)CN1C(=O)C1CNCCO1)OCCO3
InChIInChI=1S/C21H28N2O4/c1-14-15-10-17-18(27-9-8-26-17)11-16(15)21(4-2-3-5-21)13-23(14)20(24)19-12-22-6-7-25-19/h10-11,14,19,22H,2-9,12-13H2,1H3
InChIKeySYKSACCGBTVKMB-UHFFFAOYSA-N
XLogP2.16
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)-morpholin-2-ylmethanone 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 (6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)-morpholin-2-ylmethanone?
The IUPAC name of (6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)-morpholin-2-ylmethanone (CID 119699969) is (6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)-morpholin-2-ylmethanone.
What is the SMILES notation for (6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)-morpholin-2-ylmethanone?
The canonical SMILES for (6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)-morpholin-2-ylmethanone is CC1c2cc3c(cc2C2(CCCC2)CN1C(=O)C1CNCCO1)OCCO3.
What is the InChIKey of (6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)-morpholin-2-ylmethanone?
The InChIKey is SYKSACCGBTVKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-14-15-10-17-18(27-9-8-26-17)11-16(15)21(4-2-3-5-21)13-23(14)20(24)19-12-22-6-7-25-19/h10-11,14,19,22H,2-9,12-13H2,1H3.
What are the key properties of (6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)-morpholin-2-ylmethanone?
(6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)-morpholin-2-ylmethanone has a molecular weight of 372.47 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylspiro[2,3,6,8-tetrahydro-[1,4]dioxino[2,3-g]isoquinoline-9,1'-cyclopentane]-7-yl)-morpholin-2-ylmethanone is sourced from PubChem (CID 119699969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).