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

C19H19BrN4 — CID 90670049

IUPACN'-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine
SMILESCn1c2ccccc2c2c(NCCCN)nc3ccc(Br)cc3c21
InChIInChI=1S/C19H19BrN4/c1-24-16-6-3-2-5-13(16)17-18(24)14-11-12(20)7-8-15(14)23-19(17)22-10-4-9-21/h2-3,5-8,11H,4,9-10,21H2,1H3,(H,22,23)
InChIKeyGENMUUHDYUOXSS-UHFFFAOYSA-N
MW383.29 g/mol
LogP4.40
Rot. Bonds4

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

N'-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine (PubChem CID 90670049) has the molecular formula C19H19BrN4 and a molecular weight of 383.29 g/mol. Its IUPAC name is N'-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine
PubChem CID90670049
Molecular FormulaC19H19BrN4
Molecular Weight383.29 g/mol
Exact Mass382.08
IUPAC NameN'-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine
SMILESCn1c2ccccc2c2c(NCCCN)nc3ccc(Br)cc3c21
InChIInChI=1S/C19H19BrN4/c1-24-16-6-3-2-5-13(16)17-18(24)14-11-12(20)7-8-15(14)23-19(17)22-10-4-9-21/h2-3,5-8,11H,4,9-10,21H2,1H3,(H,22,23)
InChIKeyGENMUUHDYUOXSS-UHFFFAOYSA-N
XLogP4.40
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 54.40
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-bromo-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine?
The IUPAC name of N'-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine (CID 90670049) is N'-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine?
The canonical SMILES for N'-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine is Cn1c2ccccc2c2c(NCCCN)nc3ccc(Br)cc3c21.
What is the InChIKey of N'-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine?
The InChIKey is GENMUUHDYUOXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4/c1-24-16-6-3-2-5-13(16)17-18(24)14-11-12(20)7-8-15(14)23-19(17)22-10-4-9-21/h2-3,5-8,11H,4,9-10,21H2,1H3,(H,22,23).
What are the key properties of N'-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine?
N'-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine has a molecular weight of 383.29 g/mol, XLogP of 4.40, 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)propane-1,3-diamine is sourced from PubChem (CID 90670049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).