8-bromo-N,2-diethyl-5-iodo-3-methylquinolin-4-amine

C14H16BrIN2 — CID 114260983

IUPAC8-bromo-N,2-diethyl-5-iodo-3-methylquinolin-4-amine
SMILESCCNc1c(C)c(CC)nc2c(Br)ccc(I)c12
InChIInChI=1S/C14H16BrIN2/c1-4-11-8(3)13(17-5-2)12-10(16)7-6-9(15)14(12)18-11/h6-7H,4-5H2,1-3H3,(H,17,18)
InChIKeyWFEYDRSOERVDRH-UHFFFAOYSA-N
MW419.10 g/mol
LogP4.90
Rot. Bonds3

About 8-bromo-N,2-diethyl-5-iodo-3-methylquinolin-4-amine

8-bromo-N,2-diethyl-5-iodo-3-methylquinolin-4-amine (PubChem CID 114260983) has the molecular formula C14H16BrIN2 and a molecular weight of 419.10 g/mol. Its IUPAC name is 8-bromo-N,2-diethyl-5-iodo-3-methylquinolin-4-amine.

Molecular Properties

Compound Name8-bromo-N,2-diethyl-5-iodo-3-methylquinolin-4-amine
PubChem CID114260983
Molecular FormulaC14H16BrIN2
Molecular Weight419.10 g/mol
Exact Mass417.95
IUPAC Name8-bromo-N,2-diethyl-5-iodo-3-methylquinolin-4-amine
SMILESCCNc1c(C)c(CC)nc2c(Br)ccc(I)c12
InChIInChI=1S/C14H16BrIN2/c1-4-11-8(3)13(17-5-2)12-10(16)7-6-9(15)14(12)18-11/h6-7H,4-5H2,1-3H3,(H,17,18)
InChIKeyWFEYDRSOERVDRH-UHFFFAOYSA-N
XLogP4.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.10
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N,2-diethyl-8-methoxy-3-methylquinolin-4-amine
CID 55222432
5,8-dibromo-2-ethyl-N,3-dimethylquinolin-4-amine
CID 63554447
N,2-diethyl-7,8-difluoro-3-methylquinolin-4-amine
CID 63553899
5,8-dibromo-2,3-diethylquinoxaline
CID 68642538
[8-bromo-5-iodo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 114261091
2-ethyl-5-fluoro-3,8-dimethyl-N-propylquinolin-4-amine
CID 63562434
N,2-diethyl-3,6,8-trimethylquinolin-4-amine
CID 55220908
5-bromo-2-ethyl-6-fluoro-3,8-dimethyl-N-propylquinolin-4-amine
CID 107594008
8-bromo-N-ethyl-5-fluoro-2-methylquinolin-4-amine
CID 107628929
5,8-dibromo-3-ethyl-2-methyl-N-propylquinolin-4-amine
CID 63482930
8-chloro-5-iodo-2,3-dimethyl-N-propylquinolin-4-amine
CID 114260950
2-ethyl-8-methoxy-3,5-dimethyl-N-propylquinolin-4-amine
CID 63561107

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N,2-diethyl-5-iodo-3-methylquinolin-4-amine?
The IUPAC name of 8-bromo-N,2-diethyl-5-iodo-3-methylquinolin-4-amine (CID 114260983) is 8-bromo-N,2-diethyl-5-iodo-3-methylquinolin-4-amine.
What is the SMILES notation for 8-bromo-N,2-diethyl-5-iodo-3-methylquinolin-4-amine?
The canonical SMILES for 8-bromo-N,2-diethyl-5-iodo-3-methylquinolin-4-amine is CCNc1c(C)c(CC)nc2c(Br)ccc(I)c12.
What is the InChIKey of 8-bromo-N,2-diethyl-5-iodo-3-methylquinolin-4-amine?
The InChIKey is WFEYDRSOERVDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrIN2/c1-4-11-8(3)13(17-5-2)12-10(16)7-6-9(15)14(12)18-11/h6-7H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 8-bromo-N,2-diethyl-5-iodo-3-methylquinolin-4-amine?
8-bromo-N,2-diethyl-5-iodo-3-methylquinolin-4-amine has a molecular weight of 419.10 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N,2-diethyl-5-iodo-3-methylquinolin-4-amine is sourced from PubChem (CID 114260983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).