1-(10-chloro-7-methylindolo[2,3-c]isoquinolin-5-yl)oxy-1-N,1-N'-dimethylethane-1,1-diamine

C20H21ClN4O — CID 88770170

IUPAC1-(10-chloro-7-methylindolo[2,3-c]isoquinolin-5-yl)oxy-1-N,1-N'-dimethylethane-1,1-diamine
SMILESCNC(C)(NC)Oc1nc2c(c3ccccc13)c1cc(Cl)ccc1n2C
InChIInChI=1S/C20H21ClN4O/c1-20(22-2,23-3)26-19-14-8-6-5-7-13(14)17-15-11-12(21)9-10-16(15)25(4)18(17)24-19/h5-11,22-23H,1-4H3
InChIKeyWYEHZHNBXBPQBC-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.02
Rot. Bonds4

About 1-(10-chloro-7-methylindolo[2,3-c]isoquinolin-5-yl)oxy-1-N,1-N'-dimethylethane-1,1-diamine

1-(10-chloro-7-methylindolo[2,3-c]isoquinolin-5-yl)oxy-1-N,1-N'-dimethylethane-1,1-diamine (PubChem CID 88770170) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 1-(10-chloro-7-methylindolo[2,3-c]isoquinolin-5-yl)oxy-1-N,1-N'-dimethylethane-1,1-diamine.

Molecular Properties

Compound Name1-(10-chloro-7-methylindolo[2,3-c]isoquinolin-5-yl)oxy-1-N,1-N'-dimethylethane-1,1-diamine
PubChem CID88770170
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name1-(10-chloro-7-methylindolo[2,3-c]isoquinolin-5-yl)oxy-1-N,1-N'-dimethylethane-1,1-diamine
SMILESCNC(C)(NC)Oc1nc2c(c3ccccc13)c1cc(Cl)ccc1n2C
InChIInChI=1S/C20H21ClN4O/c1-20(22-2,23-3)26-19-14-8-6-5-7-13(14)17-15-11-12(21)9-10-16(15)25(4)18(17)24-19/h5-11,22-23H,1-4H3
InChIKeyWYEHZHNBXBPQBC-UHFFFAOYSA-N
XLogP4.02
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(10-chloro-7-methylindolo[2,3-c]isoquinolin-5-yl)oxy-1-N,1-N'-dimethylethane-1,1-diamine?
The IUPAC name of 1-(10-chloro-7-methylindolo[2,3-c]isoquinolin-5-yl)oxy-1-N,1-N'-dimethylethane-1,1-diamine (CID 88770170) is 1-(10-chloro-7-methylindolo[2,3-c]isoquinolin-5-yl)oxy-1-N,1-N'-dimethylethane-1,1-diamine.
What is the SMILES notation for 1-(10-chloro-7-methylindolo[2,3-c]isoquinolin-5-yl)oxy-1-N,1-N'-dimethylethane-1,1-diamine?
The canonical SMILES for 1-(10-chloro-7-methylindolo[2,3-c]isoquinolin-5-yl)oxy-1-N,1-N'-dimethylethane-1,1-diamine is CNC(C)(NC)Oc1nc2c(c3ccccc13)c1cc(Cl)ccc1n2C.
What is the InChIKey of 1-(10-chloro-7-methylindolo[2,3-c]isoquinolin-5-yl)oxy-1-N,1-N'-dimethylethane-1,1-diamine?
The InChIKey is WYEHZHNBXBPQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-20(22-2,23-3)26-19-14-8-6-5-7-13(14)17-15-11-12(21)9-10-16(15)25(4)18(17)24-19/h5-11,22-23H,1-4H3.
What are the key properties of 1-(10-chloro-7-methylindolo[2,3-c]isoquinolin-5-yl)oxy-1-N,1-N'-dimethylethane-1,1-diamine?
1-(10-chloro-7-methylindolo[2,3-c]isoquinolin-5-yl)oxy-1-N,1-N'-dimethylethane-1,1-diamine has a molecular weight of 368.87 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-chloro-7-methylindolo[2,3-c]isoquinolin-5-yl)oxy-1-N,1-N'-dimethylethane-1,1-diamine is sourced from PubChem (CID 88770170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).