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

C21H23BrN4 — CID 90670050

IUPACN'-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-2,2-dimethylpropane-1,3-diamine
SMILESCn1c2ccccc2c2c(NCC(C)(C)CN)nc3ccc(Br)cc3c21
InChIInChI=1S/C21H23BrN4/c1-21(2,11-23)12-24-20-18-14-6-4-5-7-17(14)26(3)19(18)15-10-13(22)8-9-16(15)25-20/h4-10H,11-12,23H2,1-3H3,(H,24,25)
InChIKeyBORDLGGDKAWQTQ-UHFFFAOYSA-N
MW411.35 g/mol
LogP5.04
Rot. Bonds4

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

N'-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-2,2-dimethylpropane-1,3-diamine (PubChem CID 90670050) 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)-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-2,2-dimethylpropane-1,3-diamine
PubChem CID90670050
Molecular FormulaC21H23BrN4
Molecular Weight411.35 g/mol
Exact Mass410.11
IUPAC NameN'-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-2,2-dimethylpropane-1,3-diamine
SMILESCn1c2ccccc2c2c(NCC(C)(C)CN)nc3ccc(Br)cc3c21
InChIInChI=1S/C21H23BrN4/c1-21(2,11-23)12-24-20-18-14-6-4-5-7-17(14)26(3)19(18)15-10-13(22)8-9-16(15)25-20/h4-10H,11-12,23H2,1-3H3,(H,24,25)
InChIKeyBORDLGGDKAWQTQ-UHFFFAOYSA-N
XLogP5.04
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.35
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-2,2-dimethylpropane-1,3-diamine (CID 90670050) is N'-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-2,2-dimethylpropane-1,3-diamine is Cn1c2ccccc2c2c(NCC(C)(C)CN)nc3ccc(Br)cc3c21.
What is the InChIKey of N'-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-2,2-dimethylpropane-1,3-diamine?
The InChIKey is BORDLGGDKAWQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN4/c1-21(2,11-23)12-24-20-18-14-6-4-5-7-17(14)26(3)19(18)15-10-13(22)8-9-16(15)25-20/h4-10H,11-12,23H2,1-3H3,(H,24,25).
What are the key properties of N'-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-2,2-dimethylpropane-1,3-diamine?
N'-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-2,2-dimethylpropane-1,3-diamine has a molecular weight of 411.35 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 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)-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 90670050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).