N-[6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-7-(2-pyrrolidin-2-ylethoxy)quinolin-4-amine

C25H23ClFN5O — CID 175411596

IUPACN-[6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-7-(2-pyrrolidin-2-ylethoxy)quinolin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccnc3cc(OCCC4CCCN4)ccc23)cnn1
InChIInChI=1S/C25H23ClFN5O/c26-16-3-6-22(27)21(12-16)25-13-18(15-30-32-25)31-23-7-10-29-24-14-19(4-5-20(23)24)33-11-8-17-2-1-9-28-17/h3-7,10,12-15,17,28H,1-2,8-9,11H2,(H,29,31,32)
InChIKeyCXOSUDMEFYDDST-UHFFFAOYSA-N
MW463.94 g/mol
LogP5.75
Rot. Bonds7

About N-[6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-7-(2-pyrrolidin-2-ylethoxy)quinolin-4-amine

N-[6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-7-(2-pyrrolidin-2-ylethoxy)quinolin-4-amine (PubChem CID 175411596) has the molecular formula C25H23ClFN5O and a molecular weight of 463.94 g/mol. Its IUPAC name is N-[6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-7-(2-pyrrolidin-2-ylethoxy)quinolin-4-amine.

Molecular Properties

Compound NameN-[6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-7-(2-pyrrolidin-2-ylethoxy)quinolin-4-amine
PubChem CID175411596
Molecular FormulaC25H23ClFN5O
Molecular Weight463.94 g/mol
Exact Mass463.16
IUPAC NameN-[6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-7-(2-pyrrolidin-2-ylethoxy)quinolin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccnc3cc(OCCC4CCCN4)ccc23)cnn1
InChIInChI=1S/C25H23ClFN5O/c26-16-3-6-22(27)21(12-16)25-13-18(15-30-32-25)31-23-7-10-29-24-14-19(4-5-20(23)24)33-11-8-17-2-1-9-28-17/h3-7,10,12-15,17,28H,1-2,8-9,11H2,(H,29,31,32)
InChIKeyCXOSUDMEFYDDST-UHFFFAOYSA-N
XLogP5.75
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.94
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-7-(2-pyrrolidin-2-ylethoxy)quinolin-4-amine with MolForge

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Related Compounds

3-[3-[4-[[6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]amino]quinolin-7-yl]oxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-methylcarbamic acid
CID 174166430
7-chloro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-4-amine
CID 104973339
6-(2-pyrrolidin-2-ylethoxy)quinoline
CID 82130155
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
CID 153341767
N-[2-(5-chloro-2-fluorophenyl)-4-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-7-amine
CID 54671064
N-(4-chlorophenyl)-7-fluoroquinolin-4-amine
CID 71468200
7-(3-pyrrolidin-2-ylpropoxy)quinoline
CID 107313758
N-[4-[2-(azepan-2-yl)ethoxy]phenyl]-6-(2-chlorophenyl)quinazolin-2-amine
CID 141273192
acetyl fluoride;7-chloro-N-(4-fluorophenyl)quinolin-4-amine
CID 144507995
4-(2-piperidin-2-ylethoxy)pyridine-2-carbonitrile
CID 62925745
7-chloro-N-(1-pyrrolidin-2-ylethyl)quinolin-4-amine
CID 23355211
(2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine
CID 102820220

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-7-(2-pyrrolidin-2-ylethoxy)quinolin-4-amine?
The IUPAC name of N-[6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-7-(2-pyrrolidin-2-ylethoxy)quinolin-4-amine (CID 175411596) is N-[6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-7-(2-pyrrolidin-2-ylethoxy)quinolin-4-amine.
What is the SMILES notation for N-[6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-7-(2-pyrrolidin-2-ylethoxy)quinolin-4-amine?
The canonical SMILES for N-[6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-7-(2-pyrrolidin-2-ylethoxy)quinolin-4-amine is Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3cc(OCCC4CCCN4)ccc23)cnn1.
What is the InChIKey of N-[6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-7-(2-pyrrolidin-2-ylethoxy)quinolin-4-amine?
The InChIKey is CXOSUDMEFYDDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O/c26-16-3-6-22(27)21(12-16)25-13-18(15-30-32-25)31-23-7-10-29-24-14-19(4-5-20(23)24)33-11-8-17-2-1-9-28-17/h3-7,10,12-15,17,28H,1-2,8-9,11H2,(H,29,31,32).
What are the key properties of N-[6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-7-(2-pyrrolidin-2-ylethoxy)quinolin-4-amine?
N-[6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-7-(2-pyrrolidin-2-ylethoxy)quinolin-4-amine has a molecular weight of 463.94 g/mol, XLogP of 5.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-chloro-2-fluorophenyl)pyridazin-4-yl]-7-(2-pyrrolidin-2-ylethoxy)quinolin-4-amine is sourced from PubChem (CID 175411596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).