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

C20H22N4O — CID 90670054

IUPACN'-(2-methoxy-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine
SMILESCOc1ccc2nc(NCCCN)c3c4ccccc4n(C)c3c2c1
InChIInChI=1S/C20H22N4O/c1-24-17-7-4-3-6-14(17)18-19(24)15-12-13(25-2)8-9-16(15)23-20(18)22-11-5-10-21/h3-4,6-9,12H,5,10-11,21H2,1-2H3,(H,22,23)
InChIKeyFKCBUZFMFUCPQO-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.65
Rot. Bonds5

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

N'-(2-methoxy-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine (PubChem CID 90670054) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N'-(2-methoxy-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methoxy-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine
PubChem CID90670054
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN'-(2-methoxy-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine
SMILESCOc1ccc2nc(NCCCN)c3c4ccccc4n(C)c3c2c1
InChIInChI=1S/C20H22N4O/c1-24-17-7-4-3-6-14(17)18-19(24)15-12-13(25-2)8-9-16(15)23-20(18)22-11-5-10-21/h3-4,6-9,12H,5,10-11,21H2,1-2H3,(H,22,23)
InChIKeyFKCBUZFMFUCPQO-UHFFFAOYSA-N
XLogP3.65
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(2-methoxy-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine 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 N'-(2-methoxy-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine?
The IUPAC name of N'-(2-methoxy-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine (CID 90670054) is N'-(2-methoxy-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-methoxy-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine?
The canonical SMILES for N'-(2-methoxy-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine is COc1ccc2nc(NCCCN)c3c4ccccc4n(C)c3c2c1.
What is the InChIKey of N'-(2-methoxy-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine?
The InChIKey is FKCBUZFMFUCPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-24-17-7-4-3-6-14(17)18-19(24)15-12-13(25-2)8-9-16(15)23-20(18)22-11-5-10-21/h3-4,6-9,12H,5,10-11,21H2,1-2H3,(H,22,23).
What are the key properties of N'-(2-methoxy-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine?
N'-(2-methoxy-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine has a molecular weight of 334.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine is sourced from PubChem (CID 90670054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).