7-chloro-2-(difluoromethyl)-N-ethyl-6-methylquinolin-4-amine

C13H13ClF2N2 — CID 113445336

IUPAC7-chloro-2-(difluoromethyl)-N-ethyl-6-methylquinolin-4-amine
SMILESCCNc1cc(C(F)F)nc2cc(Cl)c(C)cc12
InChIInChI=1S/C13H13ClF2N2/c1-3-17-10-6-12(13(15)16)18-11-5-9(14)7(2)4-8(10)11/h4-6,13H,3H2,1-2H3,(H,17,18)
InChIKeyYLQZEJVPKOWOPU-UHFFFAOYSA-N
MW270.71 g/mol
LogP4.57
Rot. Bonds3

About 7-chloro-2-(difluoromethyl)-N-ethyl-6-methylquinolin-4-amine

7-chloro-2-(difluoromethyl)-N-ethyl-6-methylquinolin-4-amine (PubChem CID 113445336) has the molecular formula C13H13ClF2N2 and a molecular weight of 270.71 g/mol. Its IUPAC name is 7-chloro-2-(difluoromethyl)-N-ethyl-6-methylquinolin-4-amine.

Molecular Properties

Compound Name7-chloro-2-(difluoromethyl)-N-ethyl-6-methylquinolin-4-amine
PubChem CID113445336
Molecular FormulaC13H13ClF2N2
Molecular Weight270.71 g/mol
Exact Mass270.07
IUPAC Name7-chloro-2-(difluoromethyl)-N-ethyl-6-methylquinolin-4-amine
SMILESCCNc1cc(C(F)F)nc2cc(Cl)c(C)cc12
InChIInChI=1S/C13H13ClF2N2/c1-3-17-10-6-12(13(15)16)18-11-5-9(14)7(2)4-8(10)11/h4-6,13H,3H2,1-2H3,(H,17,18)
InChIKeyYLQZEJVPKOWOPU-UHFFFAOYSA-N
XLogP4.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-2-(difluoromethyl)-N,6-dimethylquinolin-4-amine
CID 113445330
7-chloro-N-ethyl-6-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 104722072
8-chloro-2-(difluoromethyl)-N-ethylquinolin-4-amine
CID 62890710
6-chloro-N,2-diethyl-7-fluoroquinolin-4-amine
CID 103996830
6-chloro-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine
CID 103996806
N-ethyl-7-fluoro-6-methyl-2-propylquinolin-4-amine
CID 103996204
5-(difluoromethyl)-N-ethylthieno[3,2-b]pyridin-7-amine
CID 66354976
6-bromo-7-chloro-2-(difluoromethyl)-4-methylquinoline
CID 165443847
2-(difluoromethyl)-N-ethyl-5,6,8-trifluoroquinolin-4-amine
CID 62893164
6-chloro-N-ethyl-7-fluoro-2-(methoxymethyl)quinolin-4-amine
CID 113363427
7-chloro-2-(methoxymethyl)-6-methyl-N-propylquinolin-4-amine
CID 104722052
5-bromo-2-(difluoromethyl)-N-ethyl-6,8-difluoroquinolin-4-amine
CID 102854981

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(difluoromethyl)-N-ethyl-6-methylquinolin-4-amine?
The IUPAC name of 7-chloro-2-(difluoromethyl)-N-ethyl-6-methylquinolin-4-amine (CID 113445336) is 7-chloro-2-(difluoromethyl)-N-ethyl-6-methylquinolin-4-amine.
What is the SMILES notation for 7-chloro-2-(difluoromethyl)-N-ethyl-6-methylquinolin-4-amine?
The canonical SMILES for 7-chloro-2-(difluoromethyl)-N-ethyl-6-methylquinolin-4-amine is CCNc1cc(C(F)F)nc2cc(Cl)c(C)cc12.
What is the InChIKey of 7-chloro-2-(difluoromethyl)-N-ethyl-6-methylquinolin-4-amine?
The InChIKey is YLQZEJVPKOWOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF2N2/c1-3-17-10-6-12(13(15)16)18-11-5-9(14)7(2)4-8(10)11/h4-6,13H,3H2,1-2H3,(H,17,18).
What are the key properties of 7-chloro-2-(difluoromethyl)-N-ethyl-6-methylquinolin-4-amine?
7-chloro-2-(difluoromethyl)-N-ethyl-6-methylquinolin-4-amine has a molecular weight of 270.71 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(difluoromethyl)-N-ethyl-6-methylquinolin-4-amine is sourced from PubChem (CID 113445336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).