8-chloro-N,2-diethyl-6-fluoroquinolin-4-amine

C13H14ClFN2 — CID 63479104

IUPAC8-chloro-N,2-diethyl-6-fluoroquinolin-4-amine
SMILESCCNc1cc(CC)nc2c(Cl)cc(F)cc12
InChIInChI=1S/C13H14ClFN2/c1-3-9-7-12(16-4-2)10-5-8(15)6-11(14)13(10)17-9/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyFHWHMGVQTRCRPK-UHFFFAOYSA-N
MW252.72 g/mol
LogP4.02
Rot. Bonds3

About 8-chloro-N,2-diethyl-6-fluoroquinolin-4-amine

8-chloro-N,2-diethyl-6-fluoroquinolin-4-amine (PubChem CID 63479104) has the molecular formula C13H14ClFN2 and a molecular weight of 252.72 g/mol. Its IUPAC name is 8-chloro-N,2-diethyl-6-fluoroquinolin-4-amine.

Molecular Properties

Compound Name8-chloro-N,2-diethyl-6-fluoroquinolin-4-amine
PubChem CID63479104
Molecular FormulaC13H14ClFN2
Molecular Weight252.72 g/mol
Exact Mass252.08
IUPAC Name8-chloro-N,2-diethyl-6-fluoroquinolin-4-amine
SMILESCCNc1cc(CC)nc2c(Cl)cc(F)cc12
InChIInChI=1S/C13H14ClFN2/c1-3-9-7-12(16-4-2)10-5-8(15)6-11(14)13(10)17-9/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyFHWHMGVQTRCRPK-UHFFFAOYSA-N
XLogP4.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-N-ethyl-6-fluoro-2-(methoxymethyl)quinolin-4-amine
CID 62320077
6-chloro-N,2-diethyl-7-fluoroquinolin-4-amine
CID 103996830
8-chloro-N-ethyl-6-methyl-2-propylquinolin-4-amine
CID 63479378
8-chloro-N,3-diethyl-6-fluoro-2-methylquinolin-4-amine
CID 55197104
5,8-dichloro-N,2-diethylquinolin-4-amine
CID 63480217
N,2-diethyl-6,8-dimethylquinolin-4-amine
CID 63480218
(2-ethyl-6-fluoro-8-methylquinolin-4-yl)hydrazine
CID 62251142
6-bromo-8-chloro-2-ethyl-N-methylquinolin-4-amine
CID 63479737
6,8-difluoro-N,2-dipropylquinolin-4-amine
CID 55196345
2-tert-butyl-N-ethyl-6,8-difluoroquinolin-4-amine
CID 63480120
N,2-diethyl-5,7,8-trifluoroquinolin-4-amine
CID 62813629
7-chloro-N-ethyl-8-fluoro-2-(methoxymethyl)quinolin-4-amine
CID 55062636

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N,2-diethyl-6-fluoroquinolin-4-amine?
The IUPAC name of 8-chloro-N,2-diethyl-6-fluoroquinolin-4-amine (CID 63479104) is 8-chloro-N,2-diethyl-6-fluoroquinolin-4-amine.
What is the SMILES notation for 8-chloro-N,2-diethyl-6-fluoroquinolin-4-amine?
The canonical SMILES for 8-chloro-N,2-diethyl-6-fluoroquinolin-4-amine is CCNc1cc(CC)nc2c(Cl)cc(F)cc12.
What is the InChIKey of 8-chloro-N,2-diethyl-6-fluoroquinolin-4-amine?
The InChIKey is FHWHMGVQTRCRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2/c1-3-9-7-12(16-4-2)10-5-8(15)6-11(14)13(10)17-9/h5-7H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 8-chloro-N,2-diethyl-6-fluoroquinolin-4-amine?
8-chloro-N,2-diethyl-6-fluoroquinolin-4-amine has a molecular weight of 252.72 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N,2-diethyl-6-fluoroquinolin-4-amine is sourced from PubChem (CID 63479104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).