7H-indolo[1,2-a]quinolin-12-ium

C16H12N+ — CID 59532580

IUPAC7H-indolo[1,2-a]quinolin-12-ium
SMILESc1ccc2c(c1)Cc1ccc3ccccc3[n+]1-2
InChIInChI=1S/C16H12N/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)17(14)15/h1-10H,11H2/q+1
InChIKeySPFCFXPVHFROGF-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.02
Rot. Bonds

About 7H-indolo[1,2-a]quinolin-12-ium

7H-indolo[1,2-a]quinolin-12-ium (PubChem CID 59532580) has the molecular formula C16H12N+ and a molecular weight of 218.28 g/mol. Its IUPAC name is 7H-indolo[1,2-a]quinolin-12-ium.

Molecular Properties

Compound Name7H-indolo[1,2-a]quinolin-12-ium
PubChem CID59532580
Molecular FormulaC16H12N+
Molecular Weight218.28 g/mol
Exact Mass218.10
IUPAC Name7H-indolo[1,2-a]quinolin-12-ium
SMILESc1ccc2c(c1)Cc1ccc3ccccc3[n+]1-2
InChIInChI=1S/C16H12N/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)17(14)15/h1-10H,11H2/q+1
InChIKeySPFCFXPVHFROGF-UHFFFAOYSA-N
XLogP3.02
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7H-indolo[1,2-a]quinolin-12-ium?
The IUPAC name of 7H-indolo[1,2-a]quinolin-12-ium (CID 59532580) is 7H-indolo[1,2-a]quinolin-12-ium.
What is the SMILES notation for 7H-indolo[1,2-a]quinolin-12-ium?
The canonical SMILES for 7H-indolo[1,2-a]quinolin-12-ium is c1ccc2c(c1)Cc1ccc3ccccc3[n+]1-2.
What is the InChIKey of 7H-indolo[1,2-a]quinolin-12-ium?
The InChIKey is SPFCFXPVHFROGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)17(14)15/h1-10H,11H2/q+1.
What are the key properties of 7H-indolo[1,2-a]quinolin-12-ium?
7H-indolo[1,2-a]quinolin-12-ium has a molecular weight of 218.28 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-indolo[1,2-a]quinolin-12-ium is sourced from PubChem (CID 59532580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).