1-methyl-2H-quinoline;hydrate;dihydroiodide

C10H15I2NO — CID 174675157

IUPAC1-methyl-2H-quinoline;hydrate;dihydroiodide
SMILESCN1CC=Cc2ccccc21.I.I.O
InChIInChI=1S/C10H11N.2HI.H2O/c1-11-8-4-6-9-5-2-3-7-10(9)11;;;/h2-7H,8H2,1H3;2*1H;1H2
InChIKeyIMXDQOLMQQKAIN-UHFFFAOYSA-N
MW419.04 g/mol
LogP2.56
Rot. Bonds

About 1-methyl-2H-quinoline;hydrate;dihydroiodide

1-methyl-2H-quinoline;hydrate;dihydroiodide (PubChem CID 174675157) has the molecular formula C10H15I2NO and a molecular weight of 419.04 g/mol. Its IUPAC name is 1-methyl-2H-quinoline;hydrate;dihydroiodide.

Molecular Properties

Compound Name1-methyl-2H-quinoline;hydrate;dihydroiodide
PubChem CID174675157
Molecular FormulaC10H15I2NO
Molecular Weight419.04 g/mol
Exact Mass418.92
IUPAC Name1-methyl-2H-quinoline;hydrate;dihydroiodide
SMILESCN1CC=Cc2ccccc21.I.I.O
InChIInChI=1S/C10H11N.2HI.H2O/c1-11-8-4-6-9-5-2-3-7-10(9)11;;;/h2-7H,8H2,1H3;2*1H;1H2
InChIKeyIMXDQOLMQQKAIN-UHFFFAOYSA-N
XLogP2.56
TPSA34.74 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.04
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dimethyl-p-toluidine
CID 7471
2,2,4-Trimethyl-1,2-dihydroquinoline
CID 8981
2-Amino-5-(diethylamino)toluene
CID 67364
N-Ethyl-N-benzylaniline
CID 7098
1-Methyl-2-quinolone
CID 11820
Depramine
CID 67534
N,N-dimethyl-m-toluidine
CID 8488
N,N-diethyl-m-toluidine
CID 66679
Phenbenzamine
CID 13751
N,N,2-Trimethylaniline
CID 11869
2,N-Dimethylaniline
CID 69137
Benzenamine, N-ethyl-2-methyl-
CID 7201

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2H-quinoline;hydrate;dihydroiodide?
The IUPAC name of 1-methyl-2H-quinoline;hydrate;dihydroiodide (CID 174675157) is 1-methyl-2H-quinoline;hydrate;dihydroiodide.
What is the SMILES notation for 1-methyl-2H-quinoline;hydrate;dihydroiodide?
The canonical SMILES for 1-methyl-2H-quinoline;hydrate;dihydroiodide is CN1CC=Cc2ccccc21.I.I.O.
What is the InChIKey of 1-methyl-2H-quinoline;hydrate;dihydroiodide?
The InChIKey is IMXDQOLMQQKAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.2HI.H2O/c1-11-8-4-6-9-5-2-3-7-10(9)11;;;/h2-7H,8H2,1H3;2*1H;1H2.
What are the key properties of 1-methyl-2H-quinoline;hydrate;dihydroiodide?
1-methyl-2H-quinoline;hydrate;dihydroiodide has a molecular weight of 419.04 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2H-quinoline;hydrate;dihydroiodide is sourced from PubChem (CID 174675157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).