hydrogen sulfate;5-methyl-3-nitro-10H-indolo[3,2-b]quinolin-5-ium

C16H13N3O6S — CID 10317326

IUPAChydrogen sulfate;5-methyl-3-nitro-10H-indolo[3,2-b]quinolin-5-ium
SMILESC[n+]1c2cc([N+](=O)[O-])ccc2cc2[nH]c3ccccc3c21.O=S(=O)([O-])O
InChIInChI=1S/C16H11N3O2.H2O4S/c1-18-15-9-11(19(20)21)7-6-10(15)8-14-16(18)12-4-2-3-5-13(12)17-14;1-5(2,3)4/h2-9H,1H3;(H2,1,2,3,4)
InChIKeyDWJUVPARLOBNQQ-UHFFFAOYSA-N
MW375.36 g/mol
LogP2.21
Rot. Bonds1

About hydrogen sulfate;5-methyl-3-nitro-10H-indolo[3,2-b]quinolin-5-ium

hydrogen sulfate;5-methyl-3-nitro-10H-indolo[3,2-b]quinolin-5-ium (PubChem CID 10317326) has the molecular formula C16H13N3O6S and a molecular weight of 375.36 g/mol. Its IUPAC name is hydrogen sulfate;5-methyl-3-nitro-10H-indolo[3,2-b]quinolin-5-ium.

Molecular Properties

Compound Namehydrogen sulfate;5-methyl-3-nitro-10H-indolo[3,2-b]quinolin-5-ium
PubChem CID10317326
Molecular FormulaC16H13N3O6S
Molecular Weight375.36 g/mol
Exact Mass375.05
IUPAC Namehydrogen sulfate;5-methyl-3-nitro-10H-indolo[3,2-b]quinolin-5-ium
SMILESC[n+]1c2cc([N+](=O)[O-])ccc2cc2[nH]c3ccccc3c21.O=S(=O)([O-])O
InChIInChI=1S/C16H11N3O2.H2O4S/c1-18-15-9-11(19(20)21)7-6-10(15)8-14-16(18)12-4-2-3-5-13(12)17-14;1-5(2,3)4/h2-9H,1H3;(H2,1,2,3,4)
InChIKeyDWJUVPARLOBNQQ-UHFFFAOYSA-N
XLogP2.21
TPSA140.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

5-methyl-6,8-dinitro-10H-indolo[3,2-b]quinolin-5-ium chloride
CID 45266499
2-nitro-10H-acridin-9-one;sulfuryl dichloride
CID 159861980
methanesulfonate;1-methyl-7-nitroquinolin-1-ium
CID 138858078
9-(4-nitrophenyl)-5-oxa-17-aza-9-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,8,11,13,15-heptaen-4-one chloride
CID 15496529
3-methyl-2-(4-nitrophenyl)-1H-indole
CID 132544245
3-methyl-6-nitro-9H-carbazole
CID 58160212
N-[1-(4-nitrophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanesulfonamide
CID 169185930
7-(4-nitrophenyl)-5,12-dihydroindolo[3,2-a]carbazole
CID 56641148
9-(6-nitronaphthalen-2-yl)anthracene
CID 174679539
10-methyl-9-(3-nitrophenyl)acridin-10-ium iodide
CID 164611367
2-(1-methylpyridin-1-ium-3-yl)-6-nitro-1H-benzimidazole
CID 11783871
4-hydroxy-3-[(4-hydroxy-2-oxo-1H-quinolin-3-yl)-(3-nitrophenyl)methyl]-1H-quinolin-2-one
CID 54704875

Frequently Asked Questions

What is the IUPAC name of hydrogen sulfate;5-methyl-3-nitro-10H-indolo[3,2-b]quinolin-5-ium?
The IUPAC name of hydrogen sulfate;5-methyl-3-nitro-10H-indolo[3,2-b]quinolin-5-ium (CID 10317326) is hydrogen sulfate;5-methyl-3-nitro-10H-indolo[3,2-b]quinolin-5-ium.
What is the SMILES notation for hydrogen sulfate;5-methyl-3-nitro-10H-indolo[3,2-b]quinolin-5-ium?
The canonical SMILES for hydrogen sulfate;5-methyl-3-nitro-10H-indolo[3,2-b]quinolin-5-ium is C[n+]1c2cc([N+](=O)[O-])ccc2cc2[nH]c3ccccc3c21.O=S(=O)([O-])O.
What is the InChIKey of hydrogen sulfate;5-methyl-3-nitro-10H-indolo[3,2-b]quinolin-5-ium?
The InChIKey is DWJUVPARLOBNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2.H2O4S/c1-18-15-9-11(19(20)21)7-6-10(15)8-14-16(18)12-4-2-3-5-13(12)17-14;1-5(2,3)4/h2-9H,1H3;(H2,1,2,3,4).
What are the key properties of hydrogen sulfate;5-methyl-3-nitro-10H-indolo[3,2-b]quinolin-5-ium?
hydrogen sulfate;5-methyl-3-nitro-10H-indolo[3,2-b]quinolin-5-ium has a molecular weight of 375.36 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen sulfate;5-methyl-3-nitro-10H-indolo[3,2-b]quinolin-5-ium is sourced from PubChem (CID 10317326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).