5-chloro-7-fluoro-2-methyl-N-propylquinolin-4-amine

C13H14ClFN2 — CID 107370527

IUPAC5-chloro-7-fluoro-2-methyl-N-propylquinolin-4-amine
SMILESCCCNc1cc(C)nc2cc(F)cc(Cl)c12
InChIInChI=1S/C13H14ClFN2/c1-3-4-16-11-5-8(2)17-12-7-9(15)6-10(14)13(11)12/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyZDAFKSMKYHTCLA-UHFFFAOYSA-N
MW252.72 g/mol
LogP4.16
Rot. Bonds3

About 5-chloro-7-fluoro-2-methyl-N-propylquinolin-4-amine

5-chloro-7-fluoro-2-methyl-N-propylquinolin-4-amine (PubChem CID 107370527) has the molecular formula C13H14ClFN2 and a molecular weight of 252.72 g/mol. Its IUPAC name is 5-chloro-7-fluoro-2-methyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name5-chloro-7-fluoro-2-methyl-N-propylquinolin-4-amine
PubChem CID107370527
Molecular FormulaC13H14ClFN2
Molecular Weight252.72 g/mol
Exact Mass252.08
IUPAC Name5-chloro-7-fluoro-2-methyl-N-propylquinolin-4-amine
SMILESCCCNc1cc(C)nc2cc(F)cc(Cl)c12
InChIInChI=1S/C13H14ClFN2/c1-3-4-16-11-5-8(2)17-12-7-9(15)6-10(14)13(11)12/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyZDAFKSMKYHTCLA-UHFFFAOYSA-N
XLogP4.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-7-fluoro-2-methyl-N-propylquinolin-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-chloro-3-ethyl-7-fluoro-2-methyl-N-propylquinolin-4-amine
CID 107370539
2,5,7-trimethyl-N-propylquinolin-4-amine
CID 63479443
5-chloro-7-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 107370538
5,7-difluoro-N,2-dipropylquinolin-4-amine
CID 63481392
5,7-dichloro-2-ethyl-N-propylquinolin-4-amine
CID 63479712
5-chloro-N-ethyl-7-fluoro-2,3-dimethylquinolin-4-amine
CID 107370549
6-chloro-7-methoxy-2-methyl-N-propylquinolin-4-amine
CID 107623108
2,5,8-trimethyl-N-propylquinolin-4-amine
CID 63480948
5,7-difluoro-N,2-dimethylquinolin-4-amine
CID 62204101
6-N,6-N-diethyl-2-methyl-4-N-propylquinoline-4,6-diamine
CID 63483498
4-N-(2-chloro-4,6-difluorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 83075606
(2-tert-butyl-5-chloro-7-fluoroquinolin-4-yl)hydrazine
CID 107370624

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-fluoro-2-methyl-N-propylquinolin-4-amine?
The IUPAC name of 5-chloro-7-fluoro-2-methyl-N-propylquinolin-4-amine (CID 107370527) is 5-chloro-7-fluoro-2-methyl-N-propylquinolin-4-amine.
What is the SMILES notation for 5-chloro-7-fluoro-2-methyl-N-propylquinolin-4-amine?
The canonical SMILES for 5-chloro-7-fluoro-2-methyl-N-propylquinolin-4-amine is CCCNc1cc(C)nc2cc(F)cc(Cl)c12.
What is the InChIKey of 5-chloro-7-fluoro-2-methyl-N-propylquinolin-4-amine?
The InChIKey is ZDAFKSMKYHTCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2/c1-3-4-16-11-5-8(2)17-12-7-9(15)6-10(14)13(11)12/h5-7H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 5-chloro-7-fluoro-2-methyl-N-propylquinolin-4-amine?
5-chloro-7-fluoro-2-methyl-N-propylquinolin-4-amine has a molecular weight of 252.72 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-fluoro-2-methyl-N-propylquinolin-4-amine is sourced from PubChem (CID 107370527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).