3-methyl-15-(3-methylazetidin-3-yl)-9-oxa-2,5,6,15-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),6,11,16-tetraen-4-one;hydrochloride

C17H22ClN5O2 — CID 90284494

IUPAC3-methyl-15-(3-methylazetidin-3-yl)-9-oxa-2,5,6,15-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),6,11,16-tetraen-4-one;hydrochloride
SMILESCC1C(=O)NN=C2COc3cc4c(cc3N21)N(C1(C)CNC1)CC4.Cl
InChIInChI=1S/C17H21N5O2.ClH/c1-10-16(23)20-19-15-7-24-14-5-11-3-4-21(17(2)8-18-9-17)12(11)6-13(14)22(10)15;/h5-6,10,18H,3-4,7-9H2,1-2H3,(H,20,23);1H
InChIKeySXIVJFAORNIMHI-UHFFFAOYSA-N
MW363.85 g/mol
LogP0.86
Rot. Bonds1

About 3-methyl-15-(3-methylazetidin-3-yl)-9-oxa-2,5,6,15-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),6,11,16-tetraen-4-one;hydrochloride

3-methyl-15-(3-methylazetidin-3-yl)-9-oxa-2,5,6,15-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),6,11,16-tetraen-4-one;hydrochloride (PubChem CID 90284494) has the molecular formula C17H22ClN5O2 and a molecular weight of 363.85 g/mol. Its IUPAC name is 3-methyl-15-(3-methylazetidin-3-yl)-9-oxa-2,5,6,15-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),6,11,16-tetraen-4-one;hydrochloride.

Molecular Properties

Compound Name3-methyl-15-(3-methylazetidin-3-yl)-9-oxa-2,5,6,15-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),6,11,16-tetraen-4-one;hydrochloride
PubChem CID90284494
Molecular FormulaC17H22ClN5O2
Molecular Weight363.85 g/mol
Exact Mass363.15
IUPAC Name3-methyl-15-(3-methylazetidin-3-yl)-9-oxa-2,5,6,15-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),6,11,16-tetraen-4-one;hydrochloride
SMILESCC1C(=O)NN=C2COc3cc4c(cc3N21)N(C1(C)CNC1)CC4.Cl
InChIInChI=1S/C17H21N5O2.ClH/c1-10-16(23)20-19-15-7-24-14-5-11-3-4-21(17(2)8-18-9-17)12(11)6-13(14)22(10)15;/h5-6,10,18H,3-4,7-9H2,1-2H3,(H,20,23);1H
InChIKeySXIVJFAORNIMHI-UHFFFAOYSA-N
XLogP0.86
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 3-methyl-15-(3-methylazetidin-3-yl)-9-oxa-2,5,6,15-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),6,11,16-tetraen-4-one;hydrochloride 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 3-methyl-15-(3-methylazetidin-3-yl)-9-oxa-2,5,6,15-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),6,11,16-tetraen-4-one;hydrochloride?
The IUPAC name of 3-methyl-15-(3-methylazetidin-3-yl)-9-oxa-2,5,6,15-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),6,11,16-tetraen-4-one;hydrochloride (CID 90284494) is 3-methyl-15-(3-methylazetidin-3-yl)-9-oxa-2,5,6,15-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),6,11,16-tetraen-4-one;hydrochloride.
What is the SMILES notation for 3-methyl-15-(3-methylazetidin-3-yl)-9-oxa-2,5,6,15-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),6,11,16-tetraen-4-one;hydrochloride?
The canonical SMILES for 3-methyl-15-(3-methylazetidin-3-yl)-9-oxa-2,5,6,15-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),6,11,16-tetraen-4-one;hydrochloride is CC1C(=O)NN=C2COc3cc4c(cc3N21)N(C1(C)CNC1)CC4.Cl.
What is the InChIKey of 3-methyl-15-(3-methylazetidin-3-yl)-9-oxa-2,5,6,15-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),6,11,16-tetraen-4-one;hydrochloride?
The InChIKey is SXIVJFAORNIMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2.ClH/c1-10-16(23)20-19-15-7-24-14-5-11-3-4-21(17(2)8-18-9-17)12(11)6-13(14)22(10)15;/h5-6,10,18H,3-4,7-9H2,1-2H3,(H,20,23);1H.
What are the key properties of 3-methyl-15-(3-methylazetidin-3-yl)-9-oxa-2,5,6,15-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),6,11,16-tetraen-4-one;hydrochloride?
3-methyl-15-(3-methylazetidin-3-yl)-9-oxa-2,5,6,15-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),6,11,16-tetraen-4-one;hydrochloride has a molecular weight of 363.85 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-15-(3-methylazetidin-3-yl)-9-oxa-2,5,6,15-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),6,11,16-tetraen-4-one;hydrochloride is sourced from PubChem (CID 90284494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).