1-[4-(3,4-dichlorophenyl)phthalazin-1-yl]azetidin-3-ol

C17H13Cl2N3O — CID 133314105

IUPAC1-[4-(3,4-dichlorophenyl)phthalazin-1-yl]azetidin-3-ol
SMILESOC1CN(c2nnc(-c3ccc(Cl)c(Cl)c3)c3ccccc23)C1
InChIInChI=1S/C17H13Cl2N3O/c18-14-6-5-10(7-15(14)19)16-12-3-1-2-4-13(12)17(21-20-16)22-8-11(23)9-22/h1-7,11,23H,8-9H2
InChIKeyZHJMQWOKQAJLEX-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.78
Rot. Bonds2

About 1-[4-(3,4-dichlorophenyl)phthalazin-1-yl]azetidin-3-ol

1-[4-(3,4-dichlorophenyl)phthalazin-1-yl]azetidin-3-ol (PubChem CID 133314105) has the molecular formula C17H13Cl2N3O and a molecular weight of 346.22 g/mol. Its IUPAC name is 1-[4-(3,4-dichlorophenyl)phthalazin-1-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[4-(3,4-dichlorophenyl)phthalazin-1-yl]azetidin-3-ol
PubChem CID133314105
Molecular FormulaC17H13Cl2N3O
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name1-[4-(3,4-dichlorophenyl)phthalazin-1-yl]azetidin-3-ol
SMILESOC1CN(c2nnc(-c3ccc(Cl)c(Cl)c3)c3ccccc23)C1
InChIInChI=1S/C17H13Cl2N3O/c18-14-6-5-10(7-15(14)19)16-12-3-1-2-4-13(12)17(21-20-16)22-8-11(23)9-22/h1-7,11,23H,8-9H2
InChIKeyZHJMQWOKQAJLEX-UHFFFAOYSA-N
XLogP3.78
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)azetidin-3-ol
CID 155174092
2,6-dimethyl-4-[4-(4-methylphenyl)phthalazin-1-yl]morpholine
CID 6418527
2,6-dimethyl-4-(4-phenylphthalazin-1-yl)morpholine
CID 6414356
1-(3,6-dichloro-2-pyridinyl)azetidin-3-ol
CID 130682729
1-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)phthalazine
CID 6416576
1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpiperidin-3-amine;ethane
CID 142337470
1-(4-chlorophenyl)-4-[4-(cyclopropylmethyl)piperazin-1-yl]phthalazine
CID 134471580
(2-chlorophenyl)-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]methanone
CID 6407348
[(2S)-4-[4-(4-chlorophenyl)phthalazin-1-yl]-2-methylpiperazin-1-yl]-phenylmethanone
CID 46891165
1-[3-amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]azetidin-3-ol
CID 137430245
4-(3,4-dichlorophenyl)-2H-phthalazine-1-thione
CID 106516345
1-(2-chlorophenyl)azetidin-3-ol
CID 170732975

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dichlorophenyl)phthalazin-1-yl]azetidin-3-ol?
The IUPAC name of 1-[4-(3,4-dichlorophenyl)phthalazin-1-yl]azetidin-3-ol (CID 133314105) is 1-[4-(3,4-dichlorophenyl)phthalazin-1-yl]azetidin-3-ol.
What is the SMILES notation for 1-[4-(3,4-dichlorophenyl)phthalazin-1-yl]azetidin-3-ol?
The canonical SMILES for 1-[4-(3,4-dichlorophenyl)phthalazin-1-yl]azetidin-3-ol is OC1CN(c2nnc(-c3ccc(Cl)c(Cl)c3)c3ccccc23)C1.
What is the InChIKey of 1-[4-(3,4-dichlorophenyl)phthalazin-1-yl]azetidin-3-ol?
The InChIKey is ZHJMQWOKQAJLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O/c18-14-6-5-10(7-15(14)19)16-12-3-1-2-4-13(12)17(21-20-16)22-8-11(23)9-22/h1-7,11,23H,8-9H2.
What are the key properties of 1-[4-(3,4-dichlorophenyl)phthalazin-1-yl]azetidin-3-ol?
1-[4-(3,4-dichlorophenyl)phthalazin-1-yl]azetidin-3-ol has a molecular weight of 346.22 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dichlorophenyl)phthalazin-1-yl]azetidin-3-ol is sourced from PubChem (CID 133314105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).