N,N-diethyl-2-(9-methylindolo[3,2-b]quinoxalin-6-yl)ethanamine

C21H24N4 — CID 2966419

IUPACN,N-diethyl-2-(9-methylindolo[3,2-b]quinoxalin-6-yl)ethanamine
SMILESCCN(CC)CCn1c2ccc(C)cc2c2nc3ccccc3nc21
InChIInChI=1S/C21H24N4/c1-4-24(5-2)12-13-25-19-11-10-15(3)14-16(19)20-21(25)23-18-9-7-6-8-17(18)22-20/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeyZELKVDGRMSLFAM-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.39
Rot. Bonds5

About N,N-diethyl-2-(9-methylindolo[3,2-b]quinoxalin-6-yl)ethanamine

N,N-diethyl-2-(9-methylindolo[3,2-b]quinoxalin-6-yl)ethanamine (PubChem CID 2966419) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is N,N-diethyl-2-(9-methylindolo[3,2-b]quinoxalin-6-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(9-methylindolo[3,2-b]quinoxalin-6-yl)ethanamine
PubChem CID2966419
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC NameN,N-diethyl-2-(9-methylindolo[3,2-b]quinoxalin-6-yl)ethanamine
SMILESCCN(CC)CCn1c2ccc(C)cc2c2nc3ccccc3nc21
InChIInChI=1S/C21H24N4/c1-4-24(5-2)12-13-25-19-11-10-15(3)14-16(19)20-21(25)23-18-9-7-6-8-17(18)22-20/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeyZELKVDGRMSLFAM-UHFFFAOYSA-N
XLogP4.39
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CR-4056
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1954U89
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Bag-956
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6H-Indolo(2,3-b)quinoxaline
CID 5356192
Neocryptolepine
CID 390526
1-[[4-(Aminomethyl)phenyl]methyl]-2-Butyl-Imidazo[4,5-C]quinolin-4-Amine
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CID 44422489

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(9-methylindolo[3,2-b]quinoxalin-6-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(9-methylindolo[3,2-b]quinoxalin-6-yl)ethanamine (CID 2966419) is N,N-diethyl-2-(9-methylindolo[3,2-b]quinoxalin-6-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(9-methylindolo[3,2-b]quinoxalin-6-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(9-methylindolo[3,2-b]quinoxalin-6-yl)ethanamine is CCN(CC)CCn1c2ccc(C)cc2c2nc3ccccc3nc21.
What is the InChIKey of N,N-diethyl-2-(9-methylindolo[3,2-b]quinoxalin-6-yl)ethanamine?
The InChIKey is ZELKVDGRMSLFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-4-24(5-2)12-13-25-19-11-10-15(3)14-16(19)20-21(25)23-18-9-7-6-8-17(18)22-20/h6-11,14H,4-5,12-13H2,1-3H3.
What are the key properties of N,N-diethyl-2-(9-methylindolo[3,2-b]quinoxalin-6-yl)ethanamine?
N,N-diethyl-2-(9-methylindolo[3,2-b]quinoxalin-6-yl)ethanamine has a molecular weight of 332.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(9-methylindolo[3,2-b]quinoxalin-6-yl)ethanamine is sourced from PubChem (CID 2966419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).