6-chloro-N,3-diethyl-8-fluoroquinolin-2-amine

C13H14ClFN2 — CID 63530042

IUPAC6-chloro-N,3-diethyl-8-fluoroquinolin-2-amine
SMILESCCNc1nc2c(F)cc(Cl)cc2cc1CC
InChIInChI=1S/C13H14ClFN2/c1-3-8-5-9-6-10(14)7-11(15)12(9)17-13(8)16-4-2/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyRQTACWZDVFHCDA-UHFFFAOYSA-N
MW252.72 g/mol
LogP4.02
Rot. Bonds3

About 6-chloro-N,3-diethyl-8-fluoroquinolin-2-amine

6-chloro-N,3-diethyl-8-fluoroquinolin-2-amine (PubChem CID 63530042) has the molecular formula C13H14ClFN2 and a molecular weight of 252.72 g/mol. Its IUPAC name is 6-chloro-N,3-diethyl-8-fluoroquinolin-2-amine.

Molecular Properties

Compound Name6-chloro-N,3-diethyl-8-fluoroquinolin-2-amine
PubChem CID63530042
Molecular FormulaC13H14ClFN2
Molecular Weight252.72 g/mol
Exact Mass252.08
IUPAC Name6-chloro-N,3-diethyl-8-fluoroquinolin-2-amine
SMILESCCNc1nc2c(F)cc(Cl)cc2cc1CC
InChIInChI=1S/C13H14ClFN2/c1-3-8-5-9-6-10(14)7-11(15)12(9)17-13(8)16-4-2/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyRQTACWZDVFHCDA-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

6-chloro-N-ethyl-8-fluoro-3-propylquinolin-2-amine
CID 55224113
(6-chloro-3-ethyl-8-fluoroquinolin-2-yl)hydrazine
CID 63232613
6-chloro-N-ethyl-8-methyl-3-propylquinolin-2-amine
CID 63524533
3-ethyl-6,8-difluoro-N-propylquinolin-2-amine
CID 63525418
6-bromo-8-chloro-N,3-diethylquinolin-2-amine
CID 63525765
N,3-diethyl-5,8-difluoro-6-methylquinolin-2-amine
CID 103587507
8-chloro-N,3-diethyl-6-nitroquinolin-2-amine
CID 63232474
N-ethyl-5,6,8-trifluoro-3-propylquinolin-2-amine
CID 55223170
8-fluoro-6-methyl-N,3-dipropylquinolin-2-amine
CID 63524705
5,8-dichloro-N,3-diethyl-6-methylquinolin-2-amine
CID 104728368
N-ethyl-5,8-difluoro-6-methyl-3-propylquinolin-2-amine
CID 103587506
N-ethyl-5-fluoro-8-methyl-3-propylquinolin-2-amine
CID 63523830

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,3-diethyl-8-fluoroquinolin-2-amine?
The IUPAC name of 6-chloro-N,3-diethyl-8-fluoroquinolin-2-amine (CID 63530042) is 6-chloro-N,3-diethyl-8-fluoroquinolin-2-amine.
What is the SMILES notation for 6-chloro-N,3-diethyl-8-fluoroquinolin-2-amine?
The canonical SMILES for 6-chloro-N,3-diethyl-8-fluoroquinolin-2-amine is CCNc1nc2c(F)cc(Cl)cc2cc1CC.
What is the InChIKey of 6-chloro-N,3-diethyl-8-fluoroquinolin-2-amine?
The InChIKey is RQTACWZDVFHCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2/c1-3-8-5-9-6-10(14)7-11(15)12(9)17-13(8)16-4-2/h5-7H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 6-chloro-N,3-diethyl-8-fluoroquinolin-2-amine?
6-chloro-N,3-diethyl-8-fluoroquinolin-2-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 6-chloro-N,3-diethyl-8-fluoroquinolin-2-amine is sourced from PubChem (CID 63530042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).