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

C21H23BrN4 — CID 90670051

IUPACN-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1nc2ccc(Br)cc2c2c1c1ccccc1n2C
InChIInChI=1S/C21H23BrN4/c1-25(2)12-6-11-23-21-19-15-7-4-5-8-18(15)26(3)20(19)16-13-14(22)9-10-17(16)24-21/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,23,24)
InChIKeyHZKNJEBWQIXAQN-UHFFFAOYSA-N
MW411.35 g/mol
LogP5.01
Rot. Bonds5

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

N-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 90670051) has the molecular formula C21H23BrN4 and a molecular weight of 411.35 g/mol. Its IUPAC name is N-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID90670051
Molecular FormulaC21H23BrN4
Molecular Weight411.35 g/mol
Exact Mass410.11
IUPAC NameN-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1nc2ccc(Br)cc2c2c1c1ccccc1n2C
InChIInChI=1S/C21H23BrN4/c1-25(2)12-6-11-23-21-19-15-7-4-5-8-18(15)26(3)20(19)16-13-14(22)9-10-17(16)24-21/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,23,24)
InChIKeyHZKNJEBWQIXAQN-UHFFFAOYSA-N
XLogP5.01
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.35
LogP ≤ 55.01
H-Bond Donors ≤ 51
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-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-N',N'-dimethylpropane-1,3-diamine (CID 90670051) is N-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1nc2ccc(Br)cc2c2c1c1ccccc1n2C.
What is the InChIKey of N-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is HZKNJEBWQIXAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN4/c1-25(2)12-6-11-23-21-19-15-7-4-5-8-18(15)26(3)20(19)16-13-14(22)9-10-17(16)24-21/h4-5,7-10,13H,6,11-12H2,1-3H3,(H,23,24).
What are the key properties of N-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 411.35 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 90670051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).