7-chloro-3-ethyl-8-fluoro-2-methyl-N-propylquinolin-4-amine

C15H18ClFN2 — CID 63479361

IUPAC7-chloro-3-ethyl-8-fluoro-2-methyl-N-propylquinolin-4-amine
SMILESCCCNc1c(CC)c(C)nc2c(F)c(Cl)ccc12
InChIInChI=1S/C15H18ClFN2/c1-4-8-18-14-10(5-2)9(3)19-15-11(14)6-7-12(16)13(15)17/h6-7H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyBGYQCGRPSUOEQA-UHFFFAOYSA-N
MW280.77 g/mol
LogP4.72
Rot. Bonds4

About 7-chloro-3-ethyl-8-fluoro-2-methyl-N-propylquinolin-4-amine

7-chloro-3-ethyl-8-fluoro-2-methyl-N-propylquinolin-4-amine (PubChem CID 63479361) has the molecular formula C15H18ClFN2 and a molecular weight of 280.77 g/mol. Its IUPAC name is 7-chloro-3-ethyl-8-fluoro-2-methyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name7-chloro-3-ethyl-8-fluoro-2-methyl-N-propylquinolin-4-amine
PubChem CID63479361
Molecular FormulaC15H18ClFN2
Molecular Weight280.77 g/mol
Exact Mass280.11
IUPAC Name7-chloro-3-ethyl-8-fluoro-2-methyl-N-propylquinolin-4-amine
SMILESCCCNc1c(CC)c(C)nc2c(F)c(Cl)ccc12
InChIInChI=1S/C15H18ClFN2/c1-4-8-18-14-10(5-2)9(3)19-15-11(14)6-7-12(16)13(15)17/h6-7H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyBGYQCGRPSUOEQA-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

5,8-dichloro-3-ethyl-2-methyl-N-propylquinolin-4-amine
CID 55196144
3-ethyl-2,7,8-trimethyl-N-propylquinolin-4-amine
CID 63480442
7-chloro-N,3-diethyl-2,8-dimethylquinolin-4-amine
CID 63480239
7-chloro-3-ethyl-2,6-dimethyl-N-propylquinolin-4-amine
CID 104722062
3-ethyl-2-methyl-8-propan-2-yl-N-propylquinolin-4-amine
CID 63480478
3-ethyl-2,5,8-trimethyl-N-propylquinolin-4-amine
CID 55196722
8-chloro-3-ethyl-5-fluoro-N,2-dimethylquinolin-4-amine
CID 107531258
5-chloro-3-ethyl-7-fluoro-2-methyl-N-propylquinolin-4-amine
CID 107370539
8-chloro-2,3,5-trimethyl-N-propylquinolin-4-amine
CID 107628672
8-chloro-5-iodo-2,3-dimethyl-N-propylquinolin-4-amine
CID 114260950
8-chloro-N,3-diethyl-6-fluoro-2-methylquinolin-4-amine
CID 55197104
(5,8-dichloro-3-ethyl-2-methylquinolin-4-yl)hydrazine
CID 63483882

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-ethyl-8-fluoro-2-methyl-N-propylquinolin-4-amine?
The IUPAC name of 7-chloro-3-ethyl-8-fluoro-2-methyl-N-propylquinolin-4-amine (CID 63479361) is 7-chloro-3-ethyl-8-fluoro-2-methyl-N-propylquinolin-4-amine.
What is the SMILES notation for 7-chloro-3-ethyl-8-fluoro-2-methyl-N-propylquinolin-4-amine?
The canonical SMILES for 7-chloro-3-ethyl-8-fluoro-2-methyl-N-propylquinolin-4-amine is CCCNc1c(CC)c(C)nc2c(F)c(Cl)ccc12.
What is the InChIKey of 7-chloro-3-ethyl-8-fluoro-2-methyl-N-propylquinolin-4-amine?
The InChIKey is BGYQCGRPSUOEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2/c1-4-8-18-14-10(5-2)9(3)19-15-11(14)6-7-12(16)13(15)17/h6-7H,4-5,8H2,1-3H3,(H,18,19).
What are the key properties of 7-chloro-3-ethyl-8-fluoro-2-methyl-N-propylquinolin-4-amine?
7-chloro-3-ethyl-8-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 7-chloro-3-ethyl-8-fluoro-2-methyl-N-propylquinolin-4-amine is sourced from PubChem (CID 63479361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).