1-cyclopropyl-3-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-1,3-diazinan-2-one

C16H21N3O2 — CID 177239260

IUPAC1-cyclopropyl-3-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-1,3-diazinan-2-one
SMILESCOc1cc2c(cc1N1CCCN(C3CC3)C1=O)CNC2
InChIInChI=1S/C16H21N3O2/c1-21-15-8-12-10-17-9-11(12)7-14(15)19-6-2-5-18(16(19)20)13-3-4-13/h7-8,13,17H,2-6,9-10H2,1H3
InChIKeyZIBQMYZBTRGETM-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.09
Rot. Bonds3

About 1-cyclopropyl-3-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-1,3-diazinan-2-one

1-cyclopropyl-3-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-1,3-diazinan-2-one (PubChem CID 177239260) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-1,3-diazinan-2-one
PubChem CID177239260
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-cyclopropyl-3-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-1,3-diazinan-2-one
SMILESCOc1cc2c(cc1N1CCCN(C3CC3)C1=O)CNC2
InChIInChI=1S/C16H21N3O2/c1-21-15-8-12-10-17-9-11(12)7-14(15)19-6-2-5-18(16(19)20)13-3-4-13/h7-8,13,17H,2-6,9-10H2,1H3
InChIKeyZIBQMYZBTRGETM-UHFFFAOYSA-N
XLogP2.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-3-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-1,3-diazinan-2-one with MolForge

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Related Compounds

4-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)morpholin-3-one
CID 177238856
1-cyclopropyl-3-(6-hydroxy-7-methyl-2-oxo-1,3-dihydroisoindol-2-ium-5-yl)-1,3-diazinan-2-one
CID 177238815
5-cyclopropyl-7,8-dimethoxy-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 83008695
2-[5-(3-cyclopropyl-2-oxo-1,3-diazinan-1-yl)-6-hydroxy-2-methyl-1,3-dihydroisoindol-1-yl]acetonitrile
CID 177239404
2-[5-(3-cyclopropyl-2-oxo-1,3-diazinan-1-yl)-2-[4-(2,6-dichlorophenyl)sulfanyl-6-(1,1-difluoroethyl)-2-oxo-1H-pyridine-3-carbonyl]-6-methoxy-1-methyl-3H-isoindol-1-yl]acetonitrile
CID 177238419
1-cyclopropyl-9-methoxy-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 115030830
tert-butyl 5-(3-ethyl-2-oxo-1,3-diazinan-1-yl)-6-methoxy-1,3-dihydroisoindole-2-carboxylate
CID 177239052
2-[5-(3-ethyl-2-oxo-1,3-diazinan-1-yl)-6-methoxy-2-methyl-1,3-dihydroisoindol-1-yl]acetonitrile
CID 177238484
methyl 1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-5-yl)pyrrolidine-2-carboxylate
CID 82583032
4-(6,7-dimethoxy-2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde
CID 22945783
1-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)azepan-2-one
CID 67904387
1-(4-chloro-2,5-dimethoxyphenyl)-1,3-diazinan-2-one
CID 113296301

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-1,3-diazinan-2-one?
The IUPAC name of 1-cyclopropyl-3-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-1,3-diazinan-2-one (CID 177239260) is 1-cyclopropyl-3-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-1,3-diazinan-2-one?
The canonical SMILES for 1-cyclopropyl-3-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-1,3-diazinan-2-one is COc1cc2c(cc1N1CCCN(C3CC3)C1=O)CNC2.
What is the InChIKey of 1-cyclopropyl-3-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-1,3-diazinan-2-one?
The InChIKey is ZIBQMYZBTRGETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-21-15-8-12-10-17-9-11(12)7-14(15)19-6-2-5-18(16(19)20)13-3-4-13/h7-8,13,17H,2-6,9-10H2,1H3.
What are the key properties of 1-cyclopropyl-3-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-1,3-diazinan-2-one?
1-cyclopropyl-3-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-1,3-diazinan-2-one has a molecular weight of 287.36 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(6-methoxy-2,3-dihydro-1H-isoindol-5-yl)-1,3-diazinan-2-one is sourced from PubChem (CID 177239260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).