3-iodo-6-methoxy-2-methylquinolin-4-amine

C11H11IN2O — CID 121236710

IUPAC3-iodo-6-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2nc(C)c(I)c(N)c2c1
InChIInChI=1S/C11H11IN2O/c1-6-10(12)11(13)8-5-7(15-2)3-4-9(8)14-6/h3-5H,1-2H3,(H2,13,14)
InChIKeyYMJPJBBDQZNUJL-UHFFFAOYSA-N
MW314.13 g/mol
LogP2.74
Rot. Bonds1

About 3-iodo-6-methoxy-2-methylquinolin-4-amine

3-iodo-6-methoxy-2-methylquinolin-4-amine (PubChem CID 121236710) has the molecular formula C11H11IN2O and a molecular weight of 314.13 g/mol. Its IUPAC name is 3-iodo-6-methoxy-2-methylquinolin-4-amine.

Molecular Properties

Compound Name3-iodo-6-methoxy-2-methylquinolin-4-amine
PubChem CID121236710
Molecular FormulaC11H11IN2O
Molecular Weight314.13 g/mol
Exact Mass313.99
IUPAC Name3-iodo-6-methoxy-2-methylquinolin-4-amine
SMILESCOc1ccc2nc(C)c(I)c(N)c2c1
InChIInChI=1S/C11H11IN2O/c1-6-10(12)11(13)8-5-7(15-2)3-4-9(8)14-6/h3-5H,1-2H3,(H2,13,14)
InChIKeyYMJPJBBDQZNUJL-UHFFFAOYSA-N
XLogP2.74
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-2,4-dimethylquinolin-3-ol
CID 123803220
4-bromo-3-iodo-7-methoxy-2-methylquinoline
CID 121236808
2-bromo-6-methoxy-4-methylquinazoline
CID 84804344
9-amino-7-methoxy-3,4-dihydro-2H-acridin-1-one
CID 15043979
3-(2-aminoethyl)-6-methoxy-N,N,2-trimethylquinolin-4-amine
CID 82245832
ethane;6-methoxy-2,4-dimethylquinoline
CID 143681558
4-amino-6-methoxyquinolin-3-ol
CID 84662489
6-methoxy-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinolin-4-amine
CID 22320234
3-(2,7-dimethoxyacridin-9-yl)oxypropan-1-amine
CID 53475922
(6-methoxy-2-methylquinazolin-4-yl)hydrazine
CID 106584440
2-tert-butyl-6-methoxyquinolin-4-amine
CID 55045942
2,3-dimethyl-6-phenylmethoxyquinolin-4-amine
CID 62204130

Frequently Asked Questions

What is the IUPAC name of 3-iodo-6-methoxy-2-methylquinolin-4-amine?
The IUPAC name of 3-iodo-6-methoxy-2-methylquinolin-4-amine (CID 121236710) is 3-iodo-6-methoxy-2-methylquinolin-4-amine.
What is the SMILES notation for 3-iodo-6-methoxy-2-methylquinolin-4-amine?
The canonical SMILES for 3-iodo-6-methoxy-2-methylquinolin-4-amine is COc1ccc2nc(C)c(I)c(N)c2c1.
What is the InChIKey of 3-iodo-6-methoxy-2-methylquinolin-4-amine?
The InChIKey is YMJPJBBDQZNUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN2O/c1-6-10(12)11(13)8-5-7(15-2)3-4-9(8)14-6/h3-5H,1-2H3,(H2,13,14).
What are the key properties of 3-iodo-6-methoxy-2-methylquinolin-4-amine?
3-iodo-6-methoxy-2-methylquinolin-4-amine has a molecular weight of 314.13 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-6-methoxy-2-methylquinolin-4-amine is sourced from PubChem (CID 121236710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).