1-methyl-2H-1,8-naphthyridine;quinoline;hydroiodide

C18H18IN3 — CID 160852732

IUPAC1-methyl-2H-1,8-naphthyridine;quinoline;hydroiodide
SMILESCN1CC=Cc2cccnc21.I.c1ccc2ncccc2c1
InChIInChI=1S/C9H10N2.C9H7N.HI/c1-11-7-3-5-8-4-2-6-10-9(8)11;1-2-6-9-8(4-1)5-3-7-10-9;/h2-6H,7H2,1H3;1-7H;1H
InChIKeyZYZGXZIQFKWZCY-UHFFFAOYSA-N
MW403.27 g/mol
LogP4.40
Rot. Bonds

About 1-methyl-2H-1,8-naphthyridine;quinoline;hydroiodide

1-methyl-2H-1,8-naphthyridine;quinoline;hydroiodide (PubChem CID 160852732) has the molecular formula C18H18IN3 and a molecular weight of 403.27 g/mol. Its IUPAC name is 1-methyl-2H-1,8-naphthyridine;quinoline;hydroiodide.

Molecular Properties

Compound Name1-methyl-2H-1,8-naphthyridine;quinoline;hydroiodide
PubChem CID160852732
Molecular FormulaC18H18IN3
Molecular Weight403.27 g/mol
Exact Mass403.05
IUPAC Name1-methyl-2H-1,8-naphthyridine;quinoline;hydroiodide
SMILESCN1CC=Cc2cccnc21.I.c1ccc2ncccc2c1
InChIInChI=1S/C9H10N2.C9H7N.HI/c1-11-7-3-5-8-4-2-6-10-9(8)11;1-2-6-9-8(4-1)5-3-7-10-9;/h2-6H,7H2,1H3;1-7H;1H
InChIKeyZYZGXZIQFKWZCY-UHFFFAOYSA-N
XLogP4.40
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.27
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

quinoline;hydrochloride;hydroiodide
CID 161378453
quinoline
CID 76974643
quinoline;tetramethylsilane
CID 91292784
osmium(2+);quinoline
CID 158407120
hydron;quinoline
CID 131854096
quinoline;silver
CID 88761492
CID 175273158
CID 175273158
platinum(2+);quinoline
CID 50910245
CID 159709187
CID 159709187
N,N-dimethylmethanamine;quinoline
CID 174404526
ethane;methanol;quinoline
CID 90686502
bis(2-methylpropane);quinoline
CID 159945466

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2H-1,8-naphthyridine;quinoline;hydroiodide?
The IUPAC name of 1-methyl-2H-1,8-naphthyridine;quinoline;hydroiodide (CID 160852732) is 1-methyl-2H-1,8-naphthyridine;quinoline;hydroiodide.
What is the SMILES notation for 1-methyl-2H-1,8-naphthyridine;quinoline;hydroiodide?
The canonical SMILES for 1-methyl-2H-1,8-naphthyridine;quinoline;hydroiodide is CN1CC=Cc2cccnc21.I.c1ccc2ncccc2c1.
What is the InChIKey of 1-methyl-2H-1,8-naphthyridine;quinoline;hydroiodide?
The InChIKey is ZYZGXZIQFKWZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C9H7N.HI/c1-11-7-3-5-8-4-2-6-10-9(8)11;1-2-6-9-8(4-1)5-3-7-10-9;/h2-6H,7H2,1H3;1-7H;1H.
What are the key properties of 1-methyl-2H-1,8-naphthyridine;quinoline;hydroiodide?
1-methyl-2H-1,8-naphthyridine;quinoline;hydroiodide has a molecular weight of 403.27 g/mol, XLogP of 4.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2H-1,8-naphthyridine;quinoline;hydroiodide is sourced from PubChem (CID 160852732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).