4-iodo-6-methyl-1,2,3,4-tetrahydroquinoline

C10H12IN — CID 130774875

IUPAC4-iodo-6-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc2c(c1)C(I)CCN2
InChIInChI=1S/C10H12IN/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6,9,12H,4-5H2,1H3
InChIKeyYKCNLZNLUAPREZ-UHFFFAOYSA-N
MW273.12 g/mol
LogP3.29
Rot. Bonds

About 4-iodo-6-methyl-1,2,3,4-tetrahydroquinoline

4-iodo-6-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 130774875) has the molecular formula C10H12IN and a molecular weight of 273.12 g/mol. Its IUPAC name is 4-iodo-6-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-iodo-6-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID130774875
Molecular FormulaC10H12IN
Molecular Weight273.12 g/mol
Exact Mass273.00
IUPAC Name4-iodo-6-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1ccc2c(c1)C(I)CCN2
InChIInChI=1S/C10H12IN/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6,9,12H,4-5H2,1H3
InChIKeyYKCNLZNLUAPREZ-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-iodo-6-methyl-1,2,3,4-tetrahydroquinoline 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

4-fluoro-6-methyl-1,2,3,4-tetrahydroquinoline
CID 84717052
6-methyl-N-propan-2-yl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105456822
N-cyclopropyl-6-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105454813
6-methyl-4-piperidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82275555
4-(2-methoxyethyl)-6-methyl-1,2,3,4-tetrahydroquinoline
CID 84620577
4-(azetidin-1-ylmethyl)-6-methyl-1,2,3,4-tetrahydroquinoline
CID 105470409
(7-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-yl)methanamine
CID 82403784
3-cyclopropyl-5-methyl-2,3-dihydro-1H-indole
CID 106985758
7-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275529
N,N,7-trimethyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 82275530
N-cyclopropyl-7-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105454809
6-methylquinoline-4-carboxylic acid;6-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 161139788

Frequently Asked Questions

What is the IUPAC name of 4-iodo-6-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-iodo-6-methyl-1,2,3,4-tetrahydroquinoline (CID 130774875) is 4-iodo-6-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-iodo-6-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-iodo-6-methyl-1,2,3,4-tetrahydroquinoline is Cc1ccc2c(c1)C(I)CCN2.
What is the InChIKey of 4-iodo-6-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is YKCNLZNLUAPREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN/c1-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6,9,12H,4-5H2,1H3.
What are the key properties of 4-iodo-6-methyl-1,2,3,4-tetrahydroquinoline?
4-iodo-6-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 273.12 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-6-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 130774875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).