8-ethyl-1-methyl-3-nitroso-5-phenyl-3,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one

C20H21N3O2 — CID 90982083

IUPAC8-ethyl-1-methyl-3-nitroso-5-phenyl-3,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one
SMILESCCN1CCc2c(-c3ccccc3)cc3c(c2C1)N(C)C(=O)C3N=O
InChIInChI=1S/C20H21N3O2/c1-3-23-10-9-14-15(13-7-5-4-6-8-13)11-16-18(21-25)20(24)22(2)19(16)17(14)12-23/h4-8,11,18H,3,9-10,12H2,1-2H3
InChIKeyJCDYZGIONUYBIB-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.52
Rot. Bonds3

About 8-ethyl-1-methyl-3-nitroso-5-phenyl-3,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one

8-ethyl-1-methyl-3-nitroso-5-phenyl-3,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one (PubChem CID 90982083) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 8-ethyl-1-methyl-3-nitroso-5-phenyl-3,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one.

Molecular Properties

Compound Name8-ethyl-1-methyl-3-nitroso-5-phenyl-3,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one
PubChem CID90982083
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name8-ethyl-1-methyl-3-nitroso-5-phenyl-3,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one
SMILESCCN1CCc2c(-c3ccccc3)cc3c(c2C1)N(C)C(=O)C3N=O
InChIInChI=1S/C20H21N3O2/c1-3-23-10-9-14-15(13-7-5-4-6-8-13)11-16-18(21-25)20(24)22(2)19(16)17(14)12-23/h4-8,11,18H,3,9-10,12H2,1-2H3
InChIKeyJCDYZGIONUYBIB-UHFFFAOYSA-N
XLogP3.52
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-ethyl-1-methyl-3-nitroso-5-phenyl-3,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one with MolForge

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Related Compounds

7-ethyl-3-nitroso-5-phenyl-1,3,6,8-tetrahydropyrrolo[3,4-g]indol-2-one
CID 90855444
7-bromo-2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-amine
CID 24757234
7-ethyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol
CID 135484535
2-ethyl-5-phenyl-3,4-dihydro-1H-isoquinoline-7-carbonitrile
CID 24757230
5-bromo-8-ethyl-3-nitroso-3,6,7,9-tetrahydro-1H-pyrrolo[3,2-h]isoquinolin-2-one
CID 90733323
8-(2-hydroxyethyl)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione
CID 59647495
5-(3,5-dimethylphenyl)-8-ethyl-3-nitroso-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol
CID 135745771
ethane;2-ethyl-5-methyl-3,4-dihydro-1H-isoquinoline
CID 162382873
2-ethyl-6-nitroso-3,4-dihydro-1H-isoquinoline
CID 87982262
ethane;2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline
CID 143140351
2-ethyl-5-fluoro-3,4-dihydro-1H-isoquinoline
CID 58157151
(3E)-8-methyl-3-(1-methylpyrrolidin-2-ylidene)-5-phenyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one
CID 24889034

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1-methyl-3-nitroso-5-phenyl-3,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one?
The IUPAC name of 8-ethyl-1-methyl-3-nitroso-5-phenyl-3,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one (CID 90982083) is 8-ethyl-1-methyl-3-nitroso-5-phenyl-3,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one.
What is the SMILES notation for 8-ethyl-1-methyl-3-nitroso-5-phenyl-3,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one?
The canonical SMILES for 8-ethyl-1-methyl-3-nitroso-5-phenyl-3,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one is CCN1CCc2c(-c3ccccc3)cc3c(c2C1)N(C)C(=O)C3N=O.
What is the InChIKey of 8-ethyl-1-methyl-3-nitroso-5-phenyl-3,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one?
The InChIKey is JCDYZGIONUYBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-23-10-9-14-15(13-7-5-4-6-8-13)11-16-18(21-25)20(24)22(2)19(16)17(14)12-23/h4-8,11,18H,3,9-10,12H2,1-2H3.
What are the key properties of 8-ethyl-1-methyl-3-nitroso-5-phenyl-3,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one?
8-ethyl-1-methyl-3-nitroso-5-phenyl-3,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one has a molecular weight of 335.41 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1-methyl-3-nitroso-5-phenyl-3,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-one is sourced from PubChem (CID 90982083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).