6-chloro-N,2-diethyl-7-fluoroquinolin-4-amine

C13H14ClFN2 — CID 103996830

IUPAC6-chloro-N,2-diethyl-7-fluoroquinolin-4-amine
SMILESCCNc1cc(CC)nc2cc(F)c(Cl)cc12
InChIInChI=1S/C13H14ClFN2/c1-3-8-5-12(16-4-2)9-6-10(14)11(15)7-13(9)17-8/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyAASVABMUBGDHQH-UHFFFAOYSA-N
MW252.72 g/mol
LogP4.02
Rot. Bonds3

About 6-chloro-N,2-diethyl-7-fluoroquinolin-4-amine

6-chloro-N,2-diethyl-7-fluoroquinolin-4-amine (PubChem CID 103996830) has the molecular formula C13H14ClFN2 and a molecular weight of 252.72 g/mol. Its IUPAC name is 6-chloro-N,2-diethyl-7-fluoroquinolin-4-amine.

Molecular Properties

Compound Name6-chloro-N,2-diethyl-7-fluoroquinolin-4-amine
PubChem CID103996830
Molecular FormulaC13H14ClFN2
Molecular Weight252.72 g/mol
Exact Mass252.08
IUPAC Name6-chloro-N,2-diethyl-7-fluoroquinolin-4-amine
SMILESCCNc1cc(CC)nc2cc(F)c(Cl)cc12
InChIInChI=1S/C13H14ClFN2/c1-3-8-5-12(16-4-2)9-6-10(14)11(15)7-13(9)17-8/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyAASVABMUBGDHQH-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-7-fluoro-2-(methoxymethyl)quinolin-4-amine
CID 113363427
8-chloro-N,2-diethyl-6-fluoroquinolin-4-amine
CID 63479104
N-ethyl-7-fluoro-6-methyl-2-propylquinolin-4-amine
CID 103996204
N,2-diethyl-6,7-dimethoxyquinolin-4-amine
CID 55045702
7-chloro-2-(difluoromethyl)-N-ethyl-6-methylquinolin-4-amine
CID 113445336
6-chloro-N-ethyl-7-methoxy-2-(2-methylpropyl)quinolin-4-amine
CID 107623093
4-N,2-diethylquinoline-4,6-diamine
CID 112655264
6-bromo-N,2-diethylquinolin-4-amine
CID 63481642
6-chloro-2-(difluoromethyl)-7-fluoro-N-methylquinolin-4-amine
CID 103996806
2-ethyl-7-fluoro-6-methoxy-N-methylquinolin-4-amine
CID 113363417
7-chloro-N-ethyl-6-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 104722072
N-ethyl-7-fluoro-2-(2-methylpropyl)quinolin-4-amine
CID 103996154

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,2-diethyl-7-fluoroquinolin-4-amine?
The IUPAC name of 6-chloro-N,2-diethyl-7-fluoroquinolin-4-amine (CID 103996830) is 6-chloro-N,2-diethyl-7-fluoroquinolin-4-amine.
What is the SMILES notation for 6-chloro-N,2-diethyl-7-fluoroquinolin-4-amine?
The canonical SMILES for 6-chloro-N,2-diethyl-7-fluoroquinolin-4-amine is CCNc1cc(CC)nc2cc(F)c(Cl)cc12.
What is the InChIKey of 6-chloro-N,2-diethyl-7-fluoroquinolin-4-amine?
The InChIKey is AASVABMUBGDHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2/c1-3-8-5-12(16-4-2)9-6-10(14)11(15)7-13(9)17-8/h5-7H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 6-chloro-N,2-diethyl-7-fluoroquinolin-4-amine?
6-chloro-N,2-diethyl-7-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 6-chloro-N,2-diethyl-7-fluoroquinolin-4-amine is sourced from PubChem (CID 103996830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).