7-chloro-N-[3-(4-chlorophenyl)-5-(diethylaminomethyl)-4-fluorophenyl]quinolin-4-amine

C26H24Cl2FN3 — CID 10624122

IUPAC7-chloro-N-[3-(4-chlorophenyl)-5-(diethylaminomethyl)-4-fluorophenyl]quinolin-4-amine
SMILESCCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(-c2ccc(Cl)cc2)c1F
InChIInChI=1S/C26H24Cl2FN3/c1-3-32(4-2)16-18-13-21(15-23(26(18)29)17-5-7-19(27)8-6-17)31-24-11-12-30-25-14-20(28)9-10-22(24)25/h5-15H,3-4,16H2,1-2H3,(H,30,31)
InChIKeyWEHQJZRMAQYDOP-UHFFFAOYSA-N
MW468.40 g/mol
LogP7.93
Rot. Bonds7

About 7-chloro-N-[3-(4-chlorophenyl)-5-(diethylaminomethyl)-4-fluorophenyl]quinolin-4-amine

7-chloro-N-[3-(4-chlorophenyl)-5-(diethylaminomethyl)-4-fluorophenyl]quinolin-4-amine (PubChem CID 10624122) has the molecular formula C26H24Cl2FN3 and a molecular weight of 468.40 g/mol. Its IUPAC name is 7-chloro-N-[3-(4-chlorophenyl)-5-(diethylaminomethyl)-4-fluorophenyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[3-(4-chlorophenyl)-5-(diethylaminomethyl)-4-fluorophenyl]quinolin-4-amine
PubChem CID10624122
Molecular FormulaC26H24Cl2FN3
Molecular Weight468.40 g/mol
Exact Mass467.13
IUPAC Name7-chloro-N-[3-(4-chlorophenyl)-5-(diethylaminomethyl)-4-fluorophenyl]quinolin-4-amine
SMILESCCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(-c2ccc(Cl)cc2)c1F
InChIInChI=1S/C26H24Cl2FN3/c1-3-32(4-2)16-18-13-21(15-23(26(18)29)17-5-7-19(27)8-6-17)31-24-11-12-30-25-14-20(28)9-10-22(24)25/h5-15H,3-4,16H2,1-2H3,(H,30,31)
InChIKeyWEHQJZRMAQYDOP-UHFFFAOYSA-N
XLogP7.93
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.40
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[3-(4-chlorophenyl)-5-(diethylaminomethyl)-4-fluorophenyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[3-(4-chlorophenyl)-5-(diethylaminomethyl)-4-fluorophenyl]quinolin-4-amine (CID 10624122) is 7-chloro-N-[3-(4-chlorophenyl)-5-(diethylaminomethyl)-4-fluorophenyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[3-(4-chlorophenyl)-5-(diethylaminomethyl)-4-fluorophenyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[3-(4-chlorophenyl)-5-(diethylaminomethyl)-4-fluorophenyl]quinolin-4-amine is CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(-c2ccc(Cl)cc2)c1F.
What is the InChIKey of 7-chloro-N-[3-(4-chlorophenyl)-5-(diethylaminomethyl)-4-fluorophenyl]quinolin-4-amine?
The InChIKey is WEHQJZRMAQYDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2FN3/c1-3-32(4-2)16-18-13-21(15-23(26(18)29)17-5-7-19(27)8-6-17)31-24-11-12-30-25-14-20(28)9-10-22(24)25/h5-15H,3-4,16H2,1-2H3,(H,30,31).
What are the key properties of 7-chloro-N-[3-(4-chlorophenyl)-5-(diethylaminomethyl)-4-fluorophenyl]quinolin-4-amine?
7-chloro-N-[3-(4-chlorophenyl)-5-(diethylaminomethyl)-4-fluorophenyl]quinolin-4-amine has a molecular weight of 468.40 g/mol, XLogP of 7.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[3-(4-chlorophenyl)-5-(diethylaminomethyl)-4-fluorophenyl]quinolin-4-amine is sourced from PubChem (CID 10624122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).