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

C15H18ClFN2 — CID 107370539

IUPAC5-chloro-3-ethyl-7-fluoro-2-methyl-N-propylquinolin-4-amine
SMILESCCCNc1c(CC)c(C)nc2cc(F)cc(Cl)c12
InChIInChI=1S/C15H18ClFN2/c1-4-6-18-15-11(5-2)9(3)19-13-8-10(17)7-12(16)14(13)15/h7-8H,4-6H2,1-3H3,(H,18,19)
InChIKeyNHQVHYSXMIBCMO-UHFFFAOYSA-N
MW280.77 g/mol
LogP4.72
Rot. Bonds4

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

5-chloro-3-ethyl-7-fluoro-2-methyl-N-propylquinolin-4-amine (PubChem CID 107370539) has the molecular formula C15H18ClFN2 and a molecular weight of 280.77 g/mol. Its IUPAC name is 5-chloro-3-ethyl-7-fluoro-2-methyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name5-chloro-3-ethyl-7-fluoro-2-methyl-N-propylquinolin-4-amine
PubChem CID107370539
Molecular FormulaC15H18ClFN2
Molecular Weight280.77 g/mol
Exact Mass280.11
IUPAC Name5-chloro-3-ethyl-7-fluoro-2-methyl-N-propylquinolin-4-amine
SMILESCCCNc1c(CC)c(C)nc2cc(F)cc(Cl)c12
InChIInChI=1S/C15H18ClFN2/c1-4-6-18-15-11(5-2)9(3)19-13-8-10(17)7-12(16)14(13)15/h7-8H,4-6H2,1-3H3,(H,18,19)
InChIKeyNHQVHYSXMIBCMO-UHFFFAOYSA-N
XLogP4.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.77
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-7-fluoro-2-methyl-3-propan-2-yl-N-propylquinolin-4-amine
CID 107370538
7-chloro-3-ethyl-2,6-dimethyl-N-propylquinolin-4-amine
CID 104722062
5-chloro-N-ethyl-7-fluoro-2,3-dimethylquinolin-4-amine
CID 107370549
3-ethyl-2,5,7-trimethyl-N-propylquinolin-4-amine
CID 63479608
5-chloro-7-fluoro-2-methyl-N-propylquinolin-4-amine
CID 107370527
5,8-dichloro-3-ethyl-2-methyl-N-propylquinolin-4-amine
CID 55196144
5-chloro-N-ethyl-7-fluoro-2-methyl-3-propan-2-ylquinolin-4-amine
CID 107370593
(3-ethyl-7-fluoro-2,5-dimethylquinolin-4-yl)hydrazine
CID 79046124
(3-ethyl-5,7-difluoro-2-methylquinolin-4-yl)hydrazine
CID 62250946
7-chloro-3-ethyl-8-fluoro-2-methyl-N-propylquinolin-4-amine
CID 63479361
8-chloro-N,3-diethyl-6-fluoro-2-methylquinolin-4-amine
CID 55197104
3-ethyl-2,5,8-trimethyl-N-propylquinolin-4-amine
CID 55196722

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-7-fluoro-2-methyl-N-propylquinolin-4-amine?
The IUPAC name of 5-chloro-3-ethyl-7-fluoro-2-methyl-N-propylquinolin-4-amine (CID 107370539) is 5-chloro-3-ethyl-7-fluoro-2-methyl-N-propylquinolin-4-amine.
What is the SMILES notation for 5-chloro-3-ethyl-7-fluoro-2-methyl-N-propylquinolin-4-amine?
The canonical SMILES for 5-chloro-3-ethyl-7-fluoro-2-methyl-N-propylquinolin-4-amine is CCCNc1c(CC)c(C)nc2cc(F)cc(Cl)c12.
What is the InChIKey of 5-chloro-3-ethyl-7-fluoro-2-methyl-N-propylquinolin-4-amine?
The InChIKey is NHQVHYSXMIBCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2/c1-4-6-18-15-11(5-2)9(3)19-13-8-10(17)7-12(16)14(13)15/h7-8H,4-6H2,1-3H3,(H,18,19).
What are the key properties of 5-chloro-3-ethyl-7-fluoro-2-methyl-N-propylquinolin-4-amine?
5-chloro-3-ethyl-7-fluoro-2-methyl-N-propylquinolin-4-amine has a molecular weight of 280.77 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-7-fluoro-2-methyl-N-propylquinolin-4-amine is sourced from PubChem (CID 107370539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).