2-ethyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine

C13H15FN2O — CID 113363417

IUPAC2-ethyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine
SMILESCCc1cc(NC)c2cc(OC)c(F)cc2n1
InChIInChI=1S/C13H15FN2O/c1-4-8-5-11(15-2)9-6-13(17-3)10(14)7-12(9)16-8/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyZKSUSUZCBVQXIO-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.99
Rot. Bonds3

About 2-ethyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine

2-ethyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine (PubChem CID 113363417) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 2-ethyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine.

Molecular Properties

Compound Name2-ethyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine
PubChem CID113363417
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name2-ethyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine
SMILESCCc1cc(NC)c2cc(OC)c(F)cc2n1
InChIInChI=1S/C13H15FN2O/c1-4-8-5-11(15-2)9-6-13(17-3)10(14)7-12(9)16-8/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyZKSUSUZCBVQXIO-UHFFFAOYSA-N
XLogP2.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine
CID 103996756
N,2-diethyl-6,7-dimethoxyquinolin-4-amine
CID 55045702
6,7-dimethoxy-N-methyl-2-propan-2-ylquinolin-4-amine
CID 62203943
2-chloro-4-ethyl-7-fluoro-6-methoxyquinoline
CID 87401887
6-chloro-N,2-diethyl-7-fluoroquinolin-4-amine
CID 103996830
4-chloro-2-ethyl-6,7-dimethoxyquinoline
CID 43668679
6,7-dimethoxy-N-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 62203940
2,5-difluoro-4-methoxy-N-methylaniline
CID 82648042
7-fluoro-6-methoxy-N-methyl-3-propylquinolin-2-amine
CID 112674518
7-fluoro-6-methoxy-2-propan-2-ylquinolin-4-amine
CID 103996775
(2-ethyl-6-fluoro-8-methoxyquinolin-4-yl)hydrazine
CID 62251914
2-(aminomethyl)-7-methoxy-N-methylquinolin-4-amine
CID 84682953

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine?
The IUPAC name of 2-ethyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine (CID 113363417) is 2-ethyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine.
What is the SMILES notation for 2-ethyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine?
The canonical SMILES for 2-ethyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine is CCc1cc(NC)c2cc(OC)c(F)cc2n1.
What is the InChIKey of 2-ethyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine?
The InChIKey is ZKSUSUZCBVQXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-4-8-5-11(15-2)9-6-13(17-3)10(14)7-12(9)16-8/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of 2-ethyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine?
2-ethyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine has a molecular weight of 234.27 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine is sourced from PubChem (CID 113363417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).