5-chloro-N-ethyl-7-fluoro-2-methyl-3-propan-2-ylquinolin-4-amine

C15H18ClFN2 — CID 107370593

IUPAC5-chloro-N-ethyl-7-fluoro-2-methyl-3-propan-2-ylquinolin-4-amine
SMILESCCNc1c(C(C)C)c(C)nc2cc(F)cc(Cl)c12
InChIInChI=1S/C15H18ClFN2/c1-5-18-15-13(8(2)3)9(4)19-12-7-10(17)6-11(16)14(12)15/h6-8H,5H2,1-4H3,(H,18,19)
InChIKeyCYOLSWAHNYSGTP-UHFFFAOYSA-N
MW280.77 g/mol
LogP4.89
Rot. Bonds3

About 5-chloro-N-ethyl-7-fluoro-2-methyl-3-propan-2-ylquinolin-4-amine

5-chloro-N-ethyl-7-fluoro-2-methyl-3-propan-2-ylquinolin-4-amine (PubChem CID 107370593) has the molecular formula C15H18ClFN2 and a molecular weight of 280.77 g/mol. Its IUPAC name is 5-chloro-N-ethyl-7-fluoro-2-methyl-3-propan-2-ylquinolin-4-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-7-fluoro-2-methyl-3-propan-2-ylquinolin-4-amine
PubChem CID107370593
Molecular FormulaC15H18ClFN2
Molecular Weight280.77 g/mol
Exact Mass280.11
IUPAC Name5-chloro-N-ethyl-7-fluoro-2-methyl-3-propan-2-ylquinolin-4-amine
SMILESCCNc1c(C(C)C)c(C)nc2cc(F)cc(Cl)c12
InChIInChI=1S/C15H18ClFN2/c1-5-18-15-13(8(2)3)9(4)19-12-7-10(17)6-11(16)14(12)15/h6-8H,5H2,1-4H3,(H,18,19)
InChIKeyCYOLSWAHNYSGTP-UHFFFAOYSA-N
XLogP4.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.77
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-N-ethyl-7-fluoro-2-methyl-3-propan-2-ylquinolin-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-7-fluoro-2-methyl-3-propan-2-ylquinolin-4-amine?
The IUPAC name of 5-chloro-N-ethyl-7-fluoro-2-methyl-3-propan-2-ylquinolin-4-amine (CID 107370593) is 5-chloro-N-ethyl-7-fluoro-2-methyl-3-propan-2-ylquinolin-4-amine.
What is the SMILES notation for 5-chloro-N-ethyl-7-fluoro-2-methyl-3-propan-2-ylquinolin-4-amine?
The canonical SMILES for 5-chloro-N-ethyl-7-fluoro-2-methyl-3-propan-2-ylquinolin-4-amine is CCNc1c(C(C)C)c(C)nc2cc(F)cc(Cl)c12.
What is the InChIKey of 5-chloro-N-ethyl-7-fluoro-2-methyl-3-propan-2-ylquinolin-4-amine?
The InChIKey is CYOLSWAHNYSGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2/c1-5-18-15-13(8(2)3)9(4)19-12-7-10(17)6-11(16)14(12)15/h6-8H,5H2,1-4H3,(H,18,19).
What are the key properties of 5-chloro-N-ethyl-7-fluoro-2-methyl-3-propan-2-ylquinolin-4-amine?
5-chloro-N-ethyl-7-fluoro-2-methyl-3-propan-2-ylquinolin-4-amine has a molecular weight of 280.77 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-7-fluoro-2-methyl-3-propan-2-ylquinolin-4-amine is sourced from PubChem (CID 107370593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).