9-iodo-7-methyl-6-phenylimidazo[1,2-a][1,8]naphthyridin-7-ium

C17H13IN3+ — CID 132533186

IUPAC9-iodo-7-methyl-6-phenylimidazo[1,2-a][1,8]naphthyridin-7-ium
SMILESC[n+]1cc(I)n2c3ncccc3cc(-c3ccccc3)c21
InChIInChI=1S/C17H13IN3/c1-20-11-15(18)21-16-13(8-5-9-19-16)10-14(17(20)21)12-6-3-2-4-7-12/h2-11H,1H3/q+1
InChIKeyBPFHLFGVLZTXHK-UHFFFAOYSA-N
MW386.22 g/mol
LogP3.58
Rot. Bonds1

About 9-iodo-7-methyl-6-phenylimidazo[1,2-a][1,8]naphthyridin-7-ium

9-iodo-7-methyl-6-phenylimidazo[1,2-a][1,8]naphthyridin-7-ium (PubChem CID 132533186) has the molecular formula C17H13IN3+ and a molecular weight of 386.22 g/mol. Its IUPAC name is 9-iodo-7-methyl-6-phenylimidazo[1,2-a][1,8]naphthyridin-7-ium.

Molecular Properties

Compound Name9-iodo-7-methyl-6-phenylimidazo[1,2-a][1,8]naphthyridin-7-ium
PubChem CID132533186
Molecular FormulaC17H13IN3+
Molecular Weight386.22 g/mol
Exact Mass386.01
IUPAC Name9-iodo-7-methyl-6-phenylimidazo[1,2-a][1,8]naphthyridin-7-ium
SMILESC[n+]1cc(I)n2c3ncccc3cc(-c3ccccc3)c21
InChIInChI=1S/C17H13IN3/c1-20-11-15(18)21-16-13(8-5-9-19-16)10-14(17(20)21)12-6-3-2-4-7-12/h2-11H,1H3/q+1
InChIKeyBPFHLFGVLZTXHK-UHFFFAOYSA-N
XLogP3.58
TPSA21.18 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.22
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(4-chlorophenyl)-8-phenylimidazo[1,2-a][1,8]naphthyridine
CID 11199068
10-bromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one
CID 11729101
8,10-dibromo-6-phenyl-1,8-naphthyridino[2,1-b]quinazolin-12-one
CID 10961859
7-chloro-14-phenyl-1,3,11,12,20-pentazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-2,4(9),5,7,10,12,14,16(21),17,19-decaene
CID 10571921
2-methyl-3-(4-phenylphenyl)pyridine
CID 90167639
2-phenyl-4-[4-(2-phenyl-1,10-phenanthrolin-4-yl)phenyl]-1,10-phenanthroline
CID 155006745
1-propan-2-ylpyrrolo[2,3-b]pyridin-2-amine
CID 170310746
9-(4-chlorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine
CID 10981942
8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462299
5-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780633
3,5-diphenyl-6,8-diazapentacyclo[11.8.0.02,6.07,12.014,19]henicosa-1(13),2,4,7(12),8,10,14,16,18,20-decaene
CID 139436104
9-(4-chlorophenyl)-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine
CID 46192932

Frequently Asked Questions

What is the IUPAC name of 9-iodo-7-methyl-6-phenylimidazo[1,2-a][1,8]naphthyridin-7-ium?
The IUPAC name of 9-iodo-7-methyl-6-phenylimidazo[1,2-a][1,8]naphthyridin-7-ium (CID 132533186) is 9-iodo-7-methyl-6-phenylimidazo[1,2-a][1,8]naphthyridin-7-ium.
What is the SMILES notation for 9-iodo-7-methyl-6-phenylimidazo[1,2-a][1,8]naphthyridin-7-ium?
The canonical SMILES for 9-iodo-7-methyl-6-phenylimidazo[1,2-a][1,8]naphthyridin-7-ium is C[n+]1cc(I)n2c3ncccc3cc(-c3ccccc3)c21.
What is the InChIKey of 9-iodo-7-methyl-6-phenylimidazo[1,2-a][1,8]naphthyridin-7-ium?
The InChIKey is BPFHLFGVLZTXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13IN3/c1-20-11-15(18)21-16-13(8-5-9-19-16)10-14(17(20)21)12-6-3-2-4-7-12/h2-11H,1H3/q+1.
What are the key properties of 9-iodo-7-methyl-6-phenylimidazo[1,2-a][1,8]naphthyridin-7-ium?
9-iodo-7-methyl-6-phenylimidazo[1,2-a][1,8]naphthyridin-7-ium has a molecular weight of 386.22 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-iodo-7-methyl-6-phenylimidazo[1,2-a][1,8]naphthyridin-7-ium is sourced from PubChem (CID 132533186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).