6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one

C24H23ClN4O3 — CID 59843083

IUPAC6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one
SMILESCOc1ccc2c(OCCn3nc(-c4ccc([C@H](C)N)c(Cl)c4)ccc3=O)ccnc2c1
InChIInChI=1S/C24H23ClN4O3/c1-15(26)18-5-3-16(13-20(18)25)21-7-8-24(30)29(28-21)11-12-32-23-9-10-27-22-14-17(31-2)4-6-19(22)23/h3-10,13-15H,11-12,26H2,1-2H3/t15-/m0/s1
InChIKeyNRCOBVLXIRMHKG-HNNXBMFYSA-N
MW450.93 g/mol
LogP4.22
Rot. Bonds7

About 6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one

6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one (PubChem CID 59843083) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is 6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one
PubChem CID59843083
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC Name6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one
SMILESCOc1ccc2c(OCCn3nc(-c4ccc([C@H](C)N)c(Cl)c4)ccc3=O)ccnc2c1
InChIInChI=1S/C24H23ClN4O3/c1-15(26)18-5-3-16(13-20(18)25)21-7-8-24(30)29(28-21)11-12-32-23-9-10-27-22-14-17(31-2)4-6-19(22)23/h3-10,13-15H,11-12,26H2,1-2H3/t15-/m0/s1
InChIKeyNRCOBVLXIRMHKG-HNNXBMFYSA-N
XLogP4.22
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one with MolForge

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Related Compounds

6-(4-fluorophenyl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one
CID 25019685
(R)-N-[(1R)-1-[2-chloro-4-[1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-oxopyridazin-3-yl]phenyl]-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 59843093
2-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-phenylpyridazin-3-one
CID 25016340
2-[2-(7-methoxyquinolin-4-yl)oxyethyl]-6-(5-methyl-2-pyridinyl)pyridazin-3-one
CID 25016081
1-[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]ethylcarbamic acid
CID 123368575
6-(6-fluoro-3-methoxyindol-1-yl)-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one
CID 73387530
2-[2-[(7-methoxyquinolin-4-yl)amino]ethyl]-6-phenylpyridazin-3-one
CID 59843110
1-[2-(7-methoxyquinolin-4-yl)oxyethyl]-5-naphthalen-2-ylpyridin-2-one
CID 59843103
5-(4-isocyanophenyl)-1-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridin-2-one
CID 59843024
2-[2-[7-(4-aminopiperidin-1-yl)quinolin-4-yl]oxyethyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one
CID 175559664
[3-[1-[2-[6-(1,2-dihydroxyethyl)-7-methoxyquinolin-4-yl]oxyethyl]-6-oxopyridazin-3-yl]phenyl]-methylcarbamic acid
CID 68818487
[3-[1-[2-[6-(1,2-dihydroxyethyl)-7-methoxyquinolin-4-yl]oxyethyl]-6-oxopyridazin-3-yl]phenyl]methylcarbamic acid
CID 68818486

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one?
The IUPAC name of 6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one (CID 59843083) is 6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one.
What is the SMILES notation for 6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one?
The canonical SMILES for 6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one is COc1ccc2c(OCCn3nc(-c4ccc([C@H](C)N)c(Cl)c4)ccc3=O)ccnc2c1.
What is the InChIKey of 6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one?
The InChIKey is NRCOBVLXIRMHKG-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c1-15(26)18-5-3-16(13-20(18)25)21-7-8-24(30)29(28-21)11-12-32-23-9-10-27-22-14-17(31-2)4-6-19(22)23/h3-10,13-15H,11-12,26H2,1-2H3/t15-/m0/s1.
What are the key properties of 6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one?
6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one has a molecular weight of 450.93 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-2-[2-(7-methoxyquinolin-4-yl)oxyethyl]pyridazin-3-one is sourced from PubChem (CID 59843083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).