N-ethyl-7,8-difluoro-2,3-dimethylquinolin-4-amine

C13H14F2N2 — CID 62197895

IUPACN-ethyl-7,8-difluoro-2,3-dimethylquinolin-4-amine
SMILESCCNc1c(C)c(C)nc2c(F)c(F)ccc12
InChIInChI=1S/C13H14F2N2/c1-4-16-12-7(2)8(3)17-13-9(12)5-6-10(14)11(13)15/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyDRZBDWBKGBSCTC-UHFFFAOYSA-N
MW236.26 g/mol
LogP3.56
Rot. Bonds2

About N-ethyl-7,8-difluoro-2,3-dimethylquinolin-4-amine

N-ethyl-7,8-difluoro-2,3-dimethylquinolin-4-amine (PubChem CID 62197895) has the molecular formula C13H14F2N2 and a molecular weight of 236.26 g/mol. Its IUPAC name is N-ethyl-7,8-difluoro-2,3-dimethylquinolin-4-amine.

Molecular Properties

Compound NameN-ethyl-7,8-difluoro-2,3-dimethylquinolin-4-amine
PubChem CID62197895
Molecular FormulaC13H14F2N2
Molecular Weight236.26 g/mol
Exact Mass236.11
IUPAC NameN-ethyl-7,8-difluoro-2,3-dimethylquinolin-4-amine
SMILESCCNc1c(C)c(C)nc2c(F)c(F)ccc12
InChIInChI=1S/C13H14F2N2/c1-4-16-12-7(2)8(3)17-13-9(12)5-6-10(14)11(13)15/h5-6H,4H2,1-3H3,(H,16,17)
InChIKeyDRZBDWBKGBSCTC-UHFFFAOYSA-N
XLogP3.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-diethyl-7,8-difluoro-3-methylquinolin-4-amine
CID 63553899
N-ethyl-2,3,8-trimethylquinolin-4-amine
CID 62196442
N-ethyl-6,7-difluoro-2,3-dimethylquinolin-4-amine
CID 62203936
N-ethyl-2,3-dimethyl-8-propylquinolin-4-amine
CID 63482024
(2-ethyl-7,8-difluoro-3-methylquinolin-4-yl)hydrazine
CID 63554093
(7,8-difluoro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine
CID 62915501
N-ethyl-2,3,5,8-tetramethylquinolin-4-amine
CID 62202042
ethane;N-ethyl-2,3-dimethylquinolin-4-amine
CID 142091780
7,8-difluoro-2-methyl-N-propylquinolin-4-amine
CID 62196946
7-chloro-N,3-diethyl-2,8-dimethylquinolin-4-amine
CID 63480239
N-ethyl-5,8-difluoro-3-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 63743908
5,7,8-trifluoro-2,3-dimethyl-N-propylquinolin-4-amine
CID 63482944

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7,8-difluoro-2,3-dimethylquinolin-4-amine?
The IUPAC name of N-ethyl-7,8-difluoro-2,3-dimethylquinolin-4-amine (CID 62197895) is N-ethyl-7,8-difluoro-2,3-dimethylquinolin-4-amine.
What is the SMILES notation for N-ethyl-7,8-difluoro-2,3-dimethylquinolin-4-amine?
The canonical SMILES for N-ethyl-7,8-difluoro-2,3-dimethylquinolin-4-amine is CCNc1c(C)c(C)nc2c(F)c(F)ccc12.
What is the InChIKey of N-ethyl-7,8-difluoro-2,3-dimethylquinolin-4-amine?
The InChIKey is DRZBDWBKGBSCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2/c1-4-16-12-7(2)8(3)17-13-9(12)5-6-10(14)11(13)15/h5-6H,4H2,1-3H3,(H,16,17).
What are the key properties of N-ethyl-7,8-difluoro-2,3-dimethylquinolin-4-amine?
N-ethyl-7,8-difluoro-2,3-dimethylquinolin-4-amine has a molecular weight of 236.26 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7,8-difluoro-2,3-dimethylquinolin-4-amine is sourced from PubChem (CID 62197895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).