1-chloro-4-[1-(3-chloro-4-methoxyphenyl)ethylamino]phthalazine-6-carbonitrile

C18H14Cl2N4O — CID 10833134

IUPAC1-chloro-4-[1-(3-chloro-4-methoxyphenyl)ethylamino]phthalazine-6-carbonitrile
SMILESCOc1ccc(C(C)Nc2nnc(Cl)c3ccc(C#N)cc23)cc1Cl
InChIInChI=1S/C18H14Cl2N4O/c1-10(12-4-6-16(25-2)15(19)8-12)22-18-14-7-11(9-21)3-5-13(14)17(20)23-24-18/h3-8,10H,1-2H3,(H,22,24)
InChIKeyKIZJSONFKGMDQJ-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.99
Rot. Bonds4

About 1-chloro-4-[1-(3-chloro-4-methoxyphenyl)ethylamino]phthalazine-6-carbonitrile

1-chloro-4-[1-(3-chloro-4-methoxyphenyl)ethylamino]phthalazine-6-carbonitrile (PubChem CID 10833134) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is 1-chloro-4-[1-(3-chloro-4-methoxyphenyl)ethylamino]phthalazine-6-carbonitrile.

Molecular Properties

Compound Name1-chloro-4-[1-(3-chloro-4-methoxyphenyl)ethylamino]phthalazine-6-carbonitrile
PubChem CID10833134
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name1-chloro-4-[1-(3-chloro-4-methoxyphenyl)ethylamino]phthalazine-6-carbonitrile
SMILESCOc1ccc(C(C)Nc2nnc(Cl)c3ccc(C#N)cc23)cc1Cl
InChIInChI=1S/C18H14Cl2N4O/c1-10(12-4-6-16(25-2)15(19)8-12)22-18-14-7-11(9-21)3-5-13(14)17(20)23-24-18/h3-8,10H,1-2H3,(H,22,24)
InChIKeyKIZJSONFKGMDQJ-UHFFFAOYSA-N
XLogP4.99
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-(3-chloro-4-methoxyphenyl)ethylamino]phthalazine-6-carbonitrile?
The IUPAC name of 1-chloro-4-[1-(3-chloro-4-methoxyphenyl)ethylamino]phthalazine-6-carbonitrile (CID 10833134) is 1-chloro-4-[1-(3-chloro-4-methoxyphenyl)ethylamino]phthalazine-6-carbonitrile.
What is the SMILES notation for 1-chloro-4-[1-(3-chloro-4-methoxyphenyl)ethylamino]phthalazine-6-carbonitrile?
The canonical SMILES for 1-chloro-4-[1-(3-chloro-4-methoxyphenyl)ethylamino]phthalazine-6-carbonitrile is COc1ccc(C(C)Nc2nnc(Cl)c3ccc(C#N)cc23)cc1Cl.
What is the InChIKey of 1-chloro-4-[1-(3-chloro-4-methoxyphenyl)ethylamino]phthalazine-6-carbonitrile?
The InChIKey is KIZJSONFKGMDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c1-10(12-4-6-16(25-2)15(19)8-12)22-18-14-7-11(9-21)3-5-13(14)17(20)23-24-18/h3-8,10H,1-2H3,(H,22,24).
What are the key properties of 1-chloro-4-[1-(3-chloro-4-methoxyphenyl)ethylamino]phthalazine-6-carbonitrile?
1-chloro-4-[1-(3-chloro-4-methoxyphenyl)ethylamino]phthalazine-6-carbonitrile has a molecular weight of 373.24 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1-(3-chloro-4-methoxyphenyl)ethylamino]phthalazine-6-carbonitrile is sourced from PubChem (CID 10833134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).