2-ethyl-5-fluoro-3,8-dimethyl-N-propylquinolin-4-amine

C16H21FN2 — CID 63562434

IUPAC2-ethyl-5-fluoro-3,8-dimethyl-N-propylquinolin-4-amine
SMILESCCCNc1c(C)c(CC)nc2c(C)ccc(F)c12
InChIInChI=1S/C16H21FN2/c1-5-9-18-16-11(4)13(6-2)19-15-10(3)7-8-12(17)14(15)16/h7-8H,5-6,9H2,1-4H3,(H,18,19)
InChIKeyWMOGGUGEYJSJTH-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.38
Rot. Bonds4

About 2-ethyl-5-fluoro-3,8-dimethyl-N-propylquinolin-4-amine

2-ethyl-5-fluoro-3,8-dimethyl-N-propylquinolin-4-amine (PubChem CID 63562434) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-ethyl-5-fluoro-3,8-dimethyl-N-propylquinolin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-fluoro-3,8-dimethyl-N-propylquinolin-4-amine
PubChem CID63562434
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Name2-ethyl-5-fluoro-3,8-dimethyl-N-propylquinolin-4-amine
SMILESCCCNc1c(C)c(CC)nc2c(C)ccc(F)c12
InChIInChI=1S/C16H21FN2/c1-5-9-18-16-11(4)13(6-2)19-15-10(3)7-8-12(17)14(15)16/h7-8H,5-6,9H2,1-4H3,(H,18,19)
InChIKeyWMOGGUGEYJSJTH-UHFFFAOYSA-N
XLogP4.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-ethyl-6-fluoro-3,8-dimethyl-N-propylquinolin-4-amine
CID 107594008
2-ethyl-8-methoxy-3,5-dimethyl-N-propylquinolin-4-amine
CID 63561107
5,7,8-trifluoro-2,3-dimethyl-N-propylquinolin-4-amine
CID 63482944
5,8-difluoro-2,3,6-trimethyl-N-propylquinolin-4-amine
CID 103587346
8-chloro-2-ethyl-3-methyl-N-propylquinolin-4-amine
CID 63560531
6,8-dichloro-2-ethyl-3-methyl-N-propylquinolin-4-amine
CID 63562406
5-fluoro-8-methyl-N,2-dipropylquinolin-4-amine
CID 63479279
3-ethyl-2,5,8-trimethyl-N-propylquinolin-4-amine
CID 55196722
N,2-diethyl-7,8-difluoro-3-methylquinolin-4-amine
CID 63553899
5-chloro-3,8-dimethyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 63743734
6-chloro-2-ethyl-8-iodo-3-methyl-N-propylquinolin-4-amine
CID 107628851
8-chloro-2,3,5-trimethyl-N-propylquinolin-4-amine
CID 107628672

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-fluoro-3,8-dimethyl-N-propylquinolin-4-amine?
The IUPAC name of 2-ethyl-5-fluoro-3,8-dimethyl-N-propylquinolin-4-amine (CID 63562434) is 2-ethyl-5-fluoro-3,8-dimethyl-N-propylquinolin-4-amine.
What is the SMILES notation for 2-ethyl-5-fluoro-3,8-dimethyl-N-propylquinolin-4-amine?
The canonical SMILES for 2-ethyl-5-fluoro-3,8-dimethyl-N-propylquinolin-4-amine is CCCNc1c(C)c(CC)nc2c(C)ccc(F)c12.
What is the InChIKey of 2-ethyl-5-fluoro-3,8-dimethyl-N-propylquinolin-4-amine?
The InChIKey is WMOGGUGEYJSJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c1-5-9-18-16-11(4)13(6-2)19-15-10(3)7-8-12(17)14(15)16/h7-8H,5-6,9H2,1-4H3,(H,18,19).
What are the key properties of 2-ethyl-5-fluoro-3,8-dimethyl-N-propylquinolin-4-amine?
2-ethyl-5-fluoro-3,8-dimethyl-N-propylquinolin-4-amine has a molecular weight of 260.36 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-fluoro-3,8-dimethyl-N-propylquinolin-4-amine is sourced from PubChem (CID 63562434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).