5-chloro-N-[1-(3-fluorophenyl)ethyl]quinolin-8-amine

C17H14ClFN2 — CID 60928480

IUPAC5-chloro-N-[1-(3-fluorophenyl)ethyl]quinolin-8-amine
SMILESCC(Nc1ccc(Cl)c2cccnc12)c1cccc(F)c1
InChIInChI=1S/C17H14ClFN2/c1-11(12-4-2-5-13(19)10-12)21-16-8-7-15(18)14-6-3-9-20-17(14)16/h2-11,21H,1H3
InChIKeyVQPPWYHNUJTPLN-UHFFFAOYSA-N
MW300.76 g/mol
LogP5.20
Rot. Bonds3

About 5-chloro-N-[1-(3-fluorophenyl)ethyl]quinolin-8-amine

5-chloro-N-[1-(3-fluorophenyl)ethyl]quinolin-8-amine (PubChem CID 60928480) has the molecular formula C17H14ClFN2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 5-chloro-N-[1-(3-fluorophenyl)ethyl]quinolin-8-amine.

Molecular Properties

Compound Name5-chloro-N-[1-(3-fluorophenyl)ethyl]quinolin-8-amine
PubChem CID60928480
Molecular FormulaC17H14ClFN2
Molecular Weight300.76 g/mol
Exact Mass300.08
IUPAC Name5-chloro-N-[1-(3-fluorophenyl)ethyl]quinolin-8-amine
SMILESCC(Nc1ccc(Cl)c2cccnc12)c1cccc(F)c1
InChIInChI=1S/C17H14ClFN2/c1-11(12-4-2-5-13(19)10-12)21-16-8-7-15(18)14-6-3-9-20-17(14)16/h2-11,21H,1H3
InChIKeyVQPPWYHNUJTPLN-UHFFFAOYSA-N
XLogP5.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.76
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[1-(3-methylphenyl)ethyl]quinolin-8-amine
CID 63449094
5-chloro-N-(1-pyridin-3-ylethyl)quinolin-8-amine
CID 60927982
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine
CID 43690097
5-chloro-N-(1-thiophen-2-ylethyl)quinolin-8-amine
CID 54862255
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
N-[1-(3-fluorophenyl)ethyl]-2-propan-2-yloxypyridin-3-amine
CID 61374230
5-chloro-N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-8-amine
CID 63993460
8-chloro-N-[1-(4-chlorophenyl)ethyl]quinolin-5-amine
CID 43731715
N-[1-(3-chlorophenyl)ethyl]quinolin-8-amine
CID 43093613
2-[(5-chloroquinolin-8-yl)amino]propanoic acid
CID 66172326
N-[1-(3,4-dichlorophenyl)ethyl]quinolin-5-amine
CID 43103629
1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine
CID 116782991

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(3-fluorophenyl)ethyl]quinolin-8-amine?
The IUPAC name of 5-chloro-N-[1-(3-fluorophenyl)ethyl]quinolin-8-amine (CID 60928480) is 5-chloro-N-[1-(3-fluorophenyl)ethyl]quinolin-8-amine.
What is the SMILES notation for 5-chloro-N-[1-(3-fluorophenyl)ethyl]quinolin-8-amine?
The canonical SMILES for 5-chloro-N-[1-(3-fluorophenyl)ethyl]quinolin-8-amine is CC(Nc1ccc(Cl)c2cccnc12)c1cccc(F)c1.
What is the InChIKey of 5-chloro-N-[1-(3-fluorophenyl)ethyl]quinolin-8-amine?
The InChIKey is VQPPWYHNUJTPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2/c1-11(12-4-2-5-13(19)10-12)21-16-8-7-15(18)14-6-3-9-20-17(14)16/h2-11,21H,1H3.
What are the key properties of 5-chloro-N-[1-(3-fluorophenyl)ethyl]quinolin-8-amine?
5-chloro-N-[1-(3-fluorophenyl)ethyl]quinolin-8-amine has a molecular weight of 300.76 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(3-fluorophenyl)ethyl]quinolin-8-amine is sourced from PubChem (CID 60928480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).