4-chloro-2-(difluoromethyl)-N,N-diethylquinolin-6-amine

C14H15ClF2N2 — CID 63180130

IUPAC4-chloro-2-(difluoromethyl)-N,N-diethylquinolin-6-amine
SMILESCCN(CC)c1ccc2nc(C(F)F)cc(Cl)c2c1
InChIInChI=1S/C14H15ClF2N2/c1-3-19(4-2)9-5-6-12-10(7-9)11(15)8-13(18-12)14(16)17/h5-8,14H,3-4H2,1-2H3
InChIKeyPARLNDAQSHZWEL-UHFFFAOYSA-N
MW284.74 g/mol
LogP4.67
Rot. Bonds4

About 4-chloro-2-(difluoromethyl)-N,N-diethylquinolin-6-amine

4-chloro-2-(difluoromethyl)-N,N-diethylquinolin-6-amine (PubChem CID 63180130) has the molecular formula C14H15ClF2N2 and a molecular weight of 284.74 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)-N,N-diethylquinolin-6-amine.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)-N,N-diethylquinolin-6-amine
PubChem CID63180130
Molecular FormulaC14H15ClF2N2
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name4-chloro-2-(difluoromethyl)-N,N-diethylquinolin-6-amine
SMILESCCN(CC)c1ccc2nc(C(F)F)cc(Cl)c2c1
InChIInChI=1S/C14H15ClF2N2/c1-3-19(4-2)9-5-6-12-10(7-9)11(15)8-13(18-12)14(16)17/h5-8,14H,3-4H2,1-2H3
InChIKeyPARLNDAQSHZWEL-UHFFFAOYSA-N
XLogP4.67
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethyl)-N,N-diethylquinolin-6-amine?
The IUPAC name of 4-chloro-2-(difluoromethyl)-N,N-diethylquinolin-6-amine (CID 63180130) is 4-chloro-2-(difluoromethyl)-N,N-diethylquinolin-6-amine.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)-N,N-diethylquinolin-6-amine?
The canonical SMILES for 4-chloro-2-(difluoromethyl)-N,N-diethylquinolin-6-amine is CCN(CC)c1ccc2nc(C(F)F)cc(Cl)c2c1.
What is the InChIKey of 4-chloro-2-(difluoromethyl)-N,N-diethylquinolin-6-amine?
The InChIKey is PARLNDAQSHZWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF2N2/c1-3-19(4-2)9-5-6-12-10(7-9)11(15)8-13(18-12)14(16)17/h5-8,14H,3-4H2,1-2H3.
What are the key properties of 4-chloro-2-(difluoromethyl)-N,N-diethylquinolin-6-amine?
4-chloro-2-(difluoromethyl)-N,N-diethylquinolin-6-amine has a molecular weight of 284.74 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethyl)-N,N-diethylquinolin-6-amine is sourced from PubChem (CID 63180130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).