5-ethylbenzo[c][1,5]naphthyridin-5-ium iodide

C14H13IN2 — CID 15883001

IUPAC5-ethylbenzo[c][1,5]naphthyridin-5-ium iodide
SMILESCC[n+]1cc2ccccc2c2ncccc21.[I-]
InChIInChI=1S/C14H13N2.HI/c1-2-16-10-11-6-3-4-7-12(11)14-13(16)8-5-9-15-14;/h3-10H,2H2,1H3;1H/q+1;/p-1
InChIKeyOHHGLXAFYDGXQE-UHFFFAOYSA-M
MW336.18 g/mol
LogP-0.30
Rot. Bonds1

About 5-ethylbenzo[c][1,5]naphthyridin-5-ium iodide

5-ethylbenzo[c][1,5]naphthyridin-5-ium iodide (PubChem CID 15883001) has the molecular formula C14H13IN2 and a molecular weight of 336.18 g/mol. Its IUPAC name is 5-ethylbenzo[c][1,5]naphthyridin-5-ium iodide.

Molecular Properties

Compound Name5-ethylbenzo[c][1,5]naphthyridin-5-ium iodide
PubChem CID15883001
Molecular FormulaC14H13IN2
Molecular Weight336.18 g/mol
Exact Mass336.01
IUPAC Name5-ethylbenzo[c][1,5]naphthyridin-5-ium iodide
SMILESCC[n+]1cc2ccccc2c2ncccc21.[I-]
InChIInChI=1S/C14H13N2.HI/c1-2-16-10-11-6-3-4-7-12(11)14-13(16)8-5-9-15-14;/h3-10H,2H2,1H3;1H/q+1;/p-1
InChIKeyOHHGLXAFYDGXQE-UHFFFAOYSA-M
XLogP-0.30
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5-ethylbenzo[c][1,5]naphthyridin-5-ium iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzo[h]quinoline;naphthalene
CID 175017782
CID 87856781
CID 87856781
10,21-diethyl-2,13-dithia-10,21-diazoniapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 101071779
naphtho[2,3-f][1,10]phenanthroline
CID 15381524
5,6-dimethyl-1,7-phenanthroline
CID 67494959
beryllium;benzo[h]quinoline;hydride;quinoline
CID 174631089
3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394
1-phenanthridin-5-ium-5-ylbutan-2-one
CID 172643796
azanide;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;ruthenium
CID 164779457
13,23-diazahexacyclo[16.8.0.02,11.03,8.012,17.019,24]hexacosa-1,3,5,7,9,11,13,15,17,19(24),20,22,25-tridecaene
CID 175483832
quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline
CID 118008961
23-methyl-19,23-diazahexacyclo[12.11.0.03,12.04,9.015,20.021,25]pentacosa-1(14),2,4,6,8,10,12,15(20),16,18,21,24-dodecaene
CID 140948898

Frequently Asked Questions

What is the IUPAC name of 5-ethylbenzo[c][1,5]naphthyridin-5-ium iodide?
The IUPAC name of 5-ethylbenzo[c][1,5]naphthyridin-5-ium iodide (CID 15883001) is 5-ethylbenzo[c][1,5]naphthyridin-5-ium iodide.
What is the SMILES notation for 5-ethylbenzo[c][1,5]naphthyridin-5-ium iodide?
The canonical SMILES for 5-ethylbenzo[c][1,5]naphthyridin-5-ium iodide is CC[n+]1cc2ccccc2c2ncccc21.[I-].
What is the InChIKey of 5-ethylbenzo[c][1,5]naphthyridin-5-ium iodide?
The InChIKey is OHHGLXAFYDGXQE-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13N2.HI/c1-2-16-10-11-6-3-4-7-12(11)14-13(16)8-5-9-15-14;/h3-10H,2H2,1H3;1H/q+1;/p-1.
What are the key properties of 5-ethylbenzo[c][1,5]naphthyridin-5-ium iodide?
5-ethylbenzo[c][1,5]naphthyridin-5-ium iodide has a molecular weight of 336.18 g/mol, XLogP of -0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylbenzo[c][1,5]naphthyridin-5-ium iodide is sourced from PubChem (CID 15883001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).