N',N'-dimethyl-N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)ethane-1,2-diamine

C20H23N4+ — CID 25132222

IUPACN',N'-dimethyl-N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12
InChIInChI=1S/C20H22N4/c1-23(2)13-12-21-18-15-9-5-7-11-17(15)24(3)20-14-8-4-6-10-16(14)22-19(18)20/h4-11H,12-13H2,1-3H3,(H,21,22)/p+1
InChIKeyLIGUVABQIBSCLO-UHFFFAOYSA-O
MW319.43 g/mol
LogP3.27
Rot. Bonds4

About N',N'-dimethyl-N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)ethane-1,2-diamine (PubChem CID 25132222) has the molecular formula C20H23N4+ and a molecular weight of 319.43 g/mol. Its IUPAC name is N',N'-dimethyl-N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)ethane-1,2-diamine
PubChem CID25132222
Molecular FormulaC20H23N4+
Molecular Weight319.43 g/mol
Exact Mass319.19
IUPAC NameN',N'-dimethyl-N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12
InChIInChI=1S/C20H22N4/c1-23(2)13-12-21-18-15-9-5-7-11-17(15)24(3)20-14-8-4-6-10-16(14)22-19(18)20/h4-11H,12-13H2,1-3H3,(H,21,22)/p+1
InChIKeyLIGUVABQIBSCLO-UHFFFAOYSA-O
XLogP3.27
TPSA34.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)ethane-1,2-diamine (CID 25132222) is N',N'-dimethyl-N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)ethane-1,2-diamine is CN(C)CCNc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12.
What is the InChIKey of N',N'-dimethyl-N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)ethane-1,2-diamine?
The InChIKey is LIGUVABQIBSCLO-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H22N4/c1-23(2)13-12-21-18-15-9-5-7-11-17(15)24(3)20-14-8-4-6-10-16(14)22-19(18)20/h4-11H,12-13H2,1-3H3,(H,21,22)/p+1.
What are the key properties of N',N'-dimethyl-N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)ethane-1,2-diamine has a molecular weight of 319.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)ethane-1,2-diamine is sourced from PubChem (CID 25132222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).