6-[3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

C17H20ClN3O3 — CID 111469782

IUPAC6-[3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCn1nc2c(cc1=O)CN(CC(O)COc1ccc(Cl)cc1)CC2
InChIInChI=1S/C17H20ClN3O3/c1-20-17(23)8-12-9-21(7-6-16(12)19-20)10-14(22)11-24-15-4-2-13(18)3-5-15/h2-5,8,14,22H,6-7,9-11H2,1H3
InChIKeyOINBGNPHHIZLHW-UHFFFAOYSA-N
MW349.82 g/mol
LogP1.23
Rot. Bonds5

About 6-[3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one

6-[3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (PubChem CID 111469782) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is 6-[3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name6-[3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
PubChem CID111469782
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name6-[3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
SMILESCn1nc2c(cc1=O)CN(CC(O)COc1ccc(Cl)cc1)CC2
InChIInChI=1S/C17H20ClN3O3/c1-20-17(23)8-12-9-21(7-6-16(12)19-20)10-14(22)11-24-15-4-2-13(18)3-5-15/h2-5,8,14,22H,6-7,9-11H2,1H3
InChIKeyOINBGNPHHIZLHW-UHFFFAOYSA-N
XLogP1.23
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one with MolForge

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Related Compounds

(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethoxyphenoxy)propan-2-ol
CID 2381176
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7081025
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-[4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 71960280
1-(4-chlorophenoxy)-3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3747847
1-(4-chloro-3-methylphenoxy)-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;hydrochloride
CID 2944905
2-[4-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazine-6-carbonyl)phenoxy]acetic acid
CID 146135786
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 4084169
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133200
1-[(2S)-3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidin-4-one
CID 71605093
2-methyl-6-[2-(2-oxopyrrolidin-1-yl)ethyl]-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one
CID 71870932
1-(4-chlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol chloride
CID 53352471
(2R)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-chlorophenoxy)propan-2-ol
CID 1325536

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The IUPAC name of 6-[3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one (CID 111469782) is 6-[3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one.
What is the SMILES notation for 6-[3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The canonical SMILES for 6-[3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is Cn1nc2c(cc1=O)CN(CC(O)COc1ccc(Cl)cc1)CC2.
What is the InChIKey of 6-[3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
The InChIKey is OINBGNPHHIZLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-20-17(23)8-12-9-21(7-6-16(12)19-20)10-14(22)11-24-15-4-2-13(18)3-5-15/h2-5,8,14,22H,6-7,9-11H2,1H3.
What are the key properties of 6-[3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one?
6-[3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one has a molecular weight of 349.82 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-chlorophenoxy)-2-hydroxypropyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-one is sourced from PubChem (CID 111469782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).