5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-amine

C16H14N3+ — CID 67597321

IUPAC5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-amine
SMILESC[n+]1c2ccccc2c(N)c2[nH]c3ccccc3c21
InChIInChI=1S/C16H13N3/c1-19-13-9-5-3-7-11(13)14(17)15-16(19)10-6-2-4-8-12(10)18-15/h2-9H,1H3,(H2,17,18)/p+1
InChIKeyPJLJCNWVONSZKM-UHFFFAOYSA-O
MW248.31 g/mol
LogP2.88
Rot. Bonds

About 5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-amine

5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-amine (PubChem CID 67597321) has the molecular formula C16H14N3+ and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-amine.

Molecular Properties

Compound Name5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-amine
PubChem CID67597321
Molecular FormulaC16H14N3+
Molecular Weight248.31 g/mol
Exact Mass248.12
IUPAC Name5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-amine
SMILESC[n+]1c2ccccc2c(N)c2[nH]c3ccccc3c21
InChIInChI=1S/C16H13N3/c1-19-13-9-5-3-7-11(13)14(17)15-16(19)10-6-2-4-8-12(10)18-15/h2-9H,1H3,(H2,17,18)/p+1
InChIKeyPJLJCNWVONSZKM-UHFFFAOYSA-O
XLogP2.88
TPSA45.69 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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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Related Compounds

5,11-dimethyl-10H-indolo[3,2-b]quinolin-5-ium iodide
CID 71681954
2-fluoro-11-iodo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium
CID 10649164
N',N'-dimethyl-N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)ethane-1,2-diamine
CID 25132222
11-chloro-7-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium chloride
CID 10519777
7-bromo-5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-carboxylic acid
CID 44581611
5-methyl-N-(3-morpholin-4-ylpropyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine
CID 25132228
11-chloro-6-fluoro-5-methyl-10H-indolo[3,2-b]quinolin-5-ium;hydrochloride
CID 67598449
3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 102175677
2,5-dimethyl-10H-indolo[3,2-b]quinolin-5-ium;ethane
CID 177360716
1-methyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]quinolin-1-ium-4-amine
CID 73350754
5,10-dihydroindolo[3,2-b]indole;molecular hydrogen
CID 145382713
2-ethyl-1,3-dimethylquinolin-1-ium-4-amine iodide
CID 44655304

Frequently Asked Questions

What is the IUPAC name of 5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-amine?
The IUPAC name of 5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-amine (CID 67597321) is 5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-amine.
What is the SMILES notation for 5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-amine?
The canonical SMILES for 5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-amine is C[n+]1c2ccccc2c(N)c2[nH]c3ccccc3c21.
What is the InChIKey of 5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-amine?
The InChIKey is PJLJCNWVONSZKM-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H13N3/c1-19-13-9-5-3-7-11(13)14(17)15-16(19)10-6-2-4-8-12(10)18-15/h2-9H,1H3,(H2,17,18)/p+1.
What are the key properties of 5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-amine?
5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-amine has a molecular weight of 248.31 g/mol, XLogP of 2.88, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-amine is sourced from PubChem (CID 67597321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).