5-(5-chloro-2-methoxyphenyl)-8-ethyl-3-nitroso-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol

C20H20ClN3O3 — CID 135745773

IUPAC5-(5-chloro-2-methoxyphenyl)-8-ethyl-3-nitroso-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol
SMILESCCN1CCc2c(-c3cc(Cl)ccc3OC)cc3c(N=O)c(O)[nH]c3c2C1
InChIInChI=1S/C20H20ClN3O3/c1-3-24-7-6-12-13(14-8-11(21)4-5-17(14)27-2)9-15-18(16(12)10-24)22-20(25)19(15)23-26/h4-5,8-9,22,25H,3,6-7,10H2,1-2H3
InChIKeyZRGMSDQMNPRBHH-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.98
Rot. Bonds4

About 5-(5-chloro-2-methoxyphenyl)-8-ethyl-3-nitroso-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol

5-(5-chloro-2-methoxyphenyl)-8-ethyl-3-nitroso-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol (PubChem CID 135745773) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 5-(5-chloro-2-methoxyphenyl)-8-ethyl-3-nitroso-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol.

Molecular Properties

Compound Name5-(5-chloro-2-methoxyphenyl)-8-ethyl-3-nitroso-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol
PubChem CID135745773
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name5-(5-chloro-2-methoxyphenyl)-8-ethyl-3-nitroso-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol
SMILESCCN1CCc2c(-c3cc(Cl)ccc3OC)cc3c(N=O)c(O)[nH]c3c2C1
InChIInChI=1S/C20H20ClN3O3/c1-3-24-7-6-12-13(14-8-11(21)4-5-17(14)27-2)9-15-18(16(12)10-24)22-20(25)19(15)23-26/h4-5,8-9,22,25H,3,6-7,10H2,1-2H3
InChIKeyZRGMSDQMNPRBHH-UHFFFAOYSA-N
XLogP4.98
TPSA77.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(5-chloro-2-methoxyphenyl)-8-ethyl-3-nitroso-1,6,7,9-tetrahydropyrrolo[3,2-h]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 5-(5-chloro-2-methoxyphenyl)-8-ethyl-3-nitroso-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol?
The IUPAC name of 5-(5-chloro-2-methoxyphenyl)-8-ethyl-3-nitroso-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol (CID 135745773) is 5-(5-chloro-2-methoxyphenyl)-8-ethyl-3-nitroso-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol.
What is the SMILES notation for 5-(5-chloro-2-methoxyphenyl)-8-ethyl-3-nitroso-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol?
The canonical SMILES for 5-(5-chloro-2-methoxyphenyl)-8-ethyl-3-nitroso-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol is CCN1CCc2c(-c3cc(Cl)ccc3OC)cc3c(N=O)c(O)[nH]c3c2C1.
What is the InChIKey of 5-(5-chloro-2-methoxyphenyl)-8-ethyl-3-nitroso-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol?
The InChIKey is ZRGMSDQMNPRBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-3-24-7-6-12-13(14-8-11(21)4-5-17(14)27-2)9-15-18(16(12)10-24)22-20(25)19(15)23-26/h4-5,8-9,22,25H,3,6-7,10H2,1-2H3.
What are the key properties of 5-(5-chloro-2-methoxyphenyl)-8-ethyl-3-nitroso-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol?
5-(5-chloro-2-methoxyphenyl)-8-ethyl-3-nitroso-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol has a molecular weight of 385.85 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-methoxyphenyl)-8-ethyl-3-nitroso-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinolin-2-ol is sourced from PubChem (CID 135745773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).