N'-(2,11-dimethylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine

C20H22N4 — CID 90670053

IUPACN'-(2,11-dimethylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine
SMILESCc1ccc2nc(NCCCN)c3c4ccccc4n(C)c3c2c1
InChIInChI=1S/C20H22N4/c1-13-8-9-16-15(12-13)19-18(20(23-16)22-11-5-10-21)14-6-3-4-7-17(14)24(19)2/h3-4,6-9,12H,5,10-11,21H2,1-2H3,(H,22,23)
InChIKeyYQXQIQQNOMBJNW-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.95
Rot. Bonds4

About N'-(2,11-dimethylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine

N'-(2,11-dimethylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine (PubChem CID 90670053) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is N'-(2,11-dimethylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,11-dimethylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine
PubChem CID90670053
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC NameN'-(2,11-dimethylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine
SMILESCc1ccc2nc(NCCCN)c3c4ccccc4n(C)c3c2c1
InChIInChI=1S/C20H22N4/c1-13-8-9-16-15(12-13)19-18(20(23-16)22-11-5-10-21)14-6-3-4-7-17(14)24(19)2/h3-4,6-9,12H,5,10-11,21H2,1-2H3,(H,22,23)
InChIKeyYQXQIQQNOMBJNW-UHFFFAOYSA-N
XLogP3.95
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,11-dimethylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine?
The IUPAC name of N'-(2,11-dimethylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine (CID 90670053) is N'-(2,11-dimethylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(2,11-dimethylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine?
The canonical SMILES for N'-(2,11-dimethylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine is Cc1ccc2nc(NCCCN)c3c4ccccc4n(C)c3c2c1.
What is the InChIKey of N'-(2,11-dimethylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine?
The InChIKey is YQXQIQQNOMBJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-13-8-9-16-15(12-13)19-18(20(23-16)22-11-5-10-21)14-6-3-4-7-17(14)24(19)2/h3-4,6-9,12H,5,10-11,21H2,1-2H3,(H,22,23).
What are the key properties of N'-(2,11-dimethylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine?
N'-(2,11-dimethylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine has a molecular weight of 318.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,11-dimethylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine is sourced from PubChem (CID 90670053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).