2-cyclopropyl-N-ethyl-5-iodo-8-methylquinolin-4-amine

C15H17IN2 — CID 114257965

IUPAC2-cyclopropyl-N-ethyl-5-iodo-8-methylquinolin-4-amine
SMILESCCNc1cc(C2CC2)nc2c(C)ccc(I)c12
InChIInChI=1S/C15H17IN2/c1-3-17-13-8-12(10-5-6-10)18-15-9(2)4-7-11(16)14(13)15/h4,7-8,10H,3,5-6H2,1-2H3,(H,17,18)
InChIKeyYTCVFFMZFPSRMO-UHFFFAOYSA-N
MW352.22 g/mol
LogP4.46
Rot. Bonds3

About 2-cyclopropyl-N-ethyl-5-iodo-8-methylquinolin-4-amine

2-cyclopropyl-N-ethyl-5-iodo-8-methylquinolin-4-amine (PubChem CID 114257965) has the molecular formula C15H17IN2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-5-iodo-8-methylquinolin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-5-iodo-8-methylquinolin-4-amine
PubChem CID114257965
Molecular FormulaC15H17IN2
Molecular Weight352.22 g/mol
Exact Mass352.04
IUPAC Name2-cyclopropyl-N-ethyl-5-iodo-8-methylquinolin-4-amine
SMILESCCNc1cc(C2CC2)nc2c(C)ccc(I)c12
InChIInChI=1S/C15H17IN2/c1-3-17-13-8-12(10-5-6-10)18-15-9(2)4-7-11(16)14(13)15/h4,7-8,10H,3,5-6H2,1-2H3,(H,17,18)
InChIKeyYTCVFFMZFPSRMO-UHFFFAOYSA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-N-ethyl-5-iodo-8-methylquinolin-4-amine 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

5,8-dibromo-2-cyclopropyl-N-ethylquinolin-4-amine
CID 63484561
2-cyclopropyl-N-ethyl-6-fluoro-8-methylquinolin-4-amine
CID 55190697
2-cyclopropyl-N-ethyl-8-fluoroquinolin-4-amine
CID 55190878
2-cyclopropyl-8-methyl-N-propylquinolin-4-amine
CID 63358059
5-bromo-2-cyclopropyl-N-ethyl-8-methoxyquinolin-4-amine
CID 63481850
N-ethyl-5,8-dimethyl-2-propylquinolin-4-amine
CID 63481279
8-chloro-2-cyclopentyl-5-methyl-N-propylquinolin-4-amine
CID 107628758
6-chloro-2-cyclopropyl-8-iodo-N-propylquinolin-4-amine
CID 107628798
6-bromo-2-cyclopropyl-5,8-difluoro-N-propylquinolin-4-amine
CID 107616783
(5-chloro-2-cyclopentyl-8-methylquinolin-4-yl)hydrazine
CID 113390603
6-bromo-2-cyclopropyl-N,8-diethylquinolin-4-amine
CID 81287597
N-ethyl-5-fluoro-8-methyl-2-propan-2-ylquinolin-4-amine
CID 63479612

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-5-iodo-8-methylquinolin-4-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-5-iodo-8-methylquinolin-4-amine (CID 114257965) is 2-cyclopropyl-N-ethyl-5-iodo-8-methylquinolin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-5-iodo-8-methylquinolin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-5-iodo-8-methylquinolin-4-amine is CCNc1cc(C2CC2)nc2c(C)ccc(I)c12.
What is the InChIKey of 2-cyclopropyl-N-ethyl-5-iodo-8-methylquinolin-4-amine?
The InChIKey is YTCVFFMZFPSRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17IN2/c1-3-17-13-8-12(10-5-6-10)18-15-9(2)4-7-11(16)14(13)15/h4,7-8,10H,3,5-6H2,1-2H3,(H,17,18).
What are the key properties of 2-cyclopropyl-N-ethyl-5-iodo-8-methylquinolin-4-amine?
2-cyclopropyl-N-ethyl-5-iodo-8-methylquinolin-4-amine has a molecular weight of 352.22 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-5-iodo-8-methylquinolin-4-amine is sourced from PubChem (CID 114257965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).