7-methyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol

C18H17N3O2 — CID 135433513

IUPAC7-methyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol
SMILESCN1CCc2c(c(-c3ccccc3)cc3c(N=O)c(O)[nH]c23)C1
InChIInChI=1S/C18H17N3O2/c1-21-8-7-12-15(10-21)13(11-5-3-2-4-6-11)9-14-16(12)19-18(22)17(14)20-23/h2-6,9,19,22H,7-8,10H2,1H3
InChIKeyNKPUQTMQOJJSSK-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.93
Rot. Bonds2

About 7-methyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol

7-methyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol (PubChem CID 135433513) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 7-methyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol.

Molecular Properties

Compound Name7-methyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol
PubChem CID135433513
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name7-methyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol
SMILESCN1CCc2c(c(-c3ccccc3)cc3c(N=O)c(O)[nH]c23)C1
InChIInChI=1S/C18H17N3O2/c1-21-8-7-12-15(10-21)13(11-5-3-2-4-6-11)9-14-16(12)19-18(22)17(14)20-23/h2-6,9,19,22H,7-8,10H2,1H3
InChIKeyNKPUQTMQOJJSSK-UHFFFAOYSA-N
XLogP3.93
TPSA68.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-methyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol 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 7-methyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol?
The IUPAC name of 7-methyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol (CID 135433513) is 7-methyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol.
What is the SMILES notation for 7-methyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol?
The canonical SMILES for 7-methyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol is CN1CCc2c(c(-c3ccccc3)cc3c(N=O)c(O)[nH]c23)C1.
What is the InChIKey of 7-methyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol?
The InChIKey is NKPUQTMQOJJSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-21-8-7-12-15(10-21)13(11-5-3-2-4-6-11)9-14-16(12)19-18(22)17(14)20-23/h2-6,9,19,22H,7-8,10H2,1H3.
What are the key properties of 7-methyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol?
7-methyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol has a molecular weight of 307.35 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-nitroso-5-phenyl-1,6,8,9-tetrahydropyrrolo[2,3-f]isoquinolin-2-ol is sourced from PubChem (CID 135433513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).