4-N,5-N-bis[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridazine-4,5-diamine

C34H20Cl2F2N6 — CID 70660108

IUPAC4-N,5-N-bis[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridazine-4,5-diamine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2cnncc2Nc2cc(-c3cc(Cl)ccc3F)nc3ccccc23)c2ccccc2n1
InChIInChI=1S/C34H20Cl2F2N6/c35-19-9-11-25(37)23(13-19)31-15-29(21-5-1-3-7-27(21)41-31)43-33-17-39-40-18-34(33)44-30-16-32(24-14-20(36)10-12-26(24)38)42-28-8-4-2-6-22(28)30/h1-18H,(H,40,41,43)(H,39,42,44)
InChIKeyDHXAHRHIYFFZMB-UHFFFAOYSA-N
MW621.48 g/mol
LogP9.98
Rot. Bonds6

About 4-N,5-N-bis[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridazine-4,5-diamine

4-N,5-N-bis[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridazine-4,5-diamine (PubChem CID 70660108) has the molecular formula C34H20Cl2F2N6 and a molecular weight of 621.48 g/mol. Its IUPAC name is 4-N,5-N-bis[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridazine-4,5-diamine.

Molecular Properties

Compound Name4-N,5-N-bis[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridazine-4,5-diamine
PubChem CID70660108
Molecular FormulaC34H20Cl2F2N6
Molecular Weight621.48 g/mol
Exact Mass620.11
IUPAC Name4-N,5-N-bis[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridazine-4,5-diamine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2cnncc2Nc2cc(-c3cc(Cl)ccc3F)nc3ccccc23)c2ccccc2n1
InChIInChI=1S/C34H20Cl2F2N6/c35-19-9-11-25(37)23(13-19)31-15-29(21-5-1-3-7-27(21)41-31)43-33-17-39-40-18-34(33)44-30-16-32(24-14-20(36)10-12-26(24)38)42-28-8-4-2-6-22(28)30/h1-18H,(H,40,41,43)(H,39,42,44)
InChIKeyDHXAHRHIYFFZMB-UHFFFAOYSA-N
XLogP9.98
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.48
LogP ≤ 59.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,5-N-bis[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridazine-4,5-diamine?
The IUPAC name of 4-N,5-N-bis[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridazine-4,5-diamine (CID 70660108) is 4-N,5-N-bis[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridazine-4,5-diamine.
What is the SMILES notation for 4-N,5-N-bis[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridazine-4,5-diamine?
The canonical SMILES for 4-N,5-N-bis[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridazine-4,5-diamine is Fc1ccc(Cl)cc1-c1cc(Nc2cnncc2Nc2cc(-c3cc(Cl)ccc3F)nc3ccccc23)c2ccccc2n1.
What is the InChIKey of 4-N,5-N-bis[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridazine-4,5-diamine?
The InChIKey is DHXAHRHIYFFZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20Cl2F2N6/c35-19-9-11-25(37)23(13-19)31-15-29(21-5-1-3-7-27(21)41-31)43-33-17-39-40-18-34(33)44-30-16-32(24-14-20(36)10-12-26(24)38)42-28-8-4-2-6-22(28)30/h1-18H,(H,40,41,43)(H,39,42,44).
What are the key properties of 4-N,5-N-bis[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridazine-4,5-diamine?
4-N,5-N-bis[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridazine-4,5-diamine has a molecular weight of 621.48 g/mol, XLogP of 9.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-N-bis[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridazine-4,5-diamine is sourced from PubChem (CID 70660108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).