1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-5-(5-phenylpentyl)phthalazine

C26H25Cl2N3O — CID 18381615

IUPAC1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-5-(5-phenylpentyl)phthalazine
SMILESCOc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1CCCCCc1ccccc1
InChIInChI=1S/C26H25Cl2N3O/c1-32-26-13-12-19-22(20(26)11-7-3-6-10-18-8-4-2-5-9-18)15-30-31-25(19)14-21-23(27)16-29-17-24(21)28/h2,4-5,8-9,12-13,15-17H,3,6-7,10-11,14H2,1H3
InChIKeyAYHYIRASVWMGJI-UHFFFAOYSA-N
MW466.41 g/mol
LogP6.89
Rot. Bonds9

About 1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-5-(5-phenylpentyl)phthalazine

1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-5-(5-phenylpentyl)phthalazine (PubChem CID 18381615) has the molecular formula C26H25Cl2N3O and a molecular weight of 466.41 g/mol. Its IUPAC name is 1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-5-(5-phenylpentyl)phthalazine.

Molecular Properties

Compound Name1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-5-(5-phenylpentyl)phthalazine
PubChem CID18381615
Molecular FormulaC26H25Cl2N3O
Molecular Weight466.41 g/mol
Exact Mass465.14
IUPAC Name1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-5-(5-phenylpentyl)phthalazine
SMILESCOc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1CCCCCc1ccccc1
InChIInChI=1S/C26H25Cl2N3O/c1-32-26-13-12-19-22(20(26)11-7-3-6-10-18-8-4-2-5-9-18)15-30-31-25(19)14-21-23(27)16-29-17-24(21)28/h2,4-5,8-9,12-13,15-17H,3,6-7,10-11,14H2,1H3
InChIKeyAYHYIRASVWMGJI-UHFFFAOYSA-N
XLogP6.89
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.41
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-cyclopentyloxy-1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-3-oxidophthalazin-3-ium
CID 18504826
1-methoxy-2,3-bis(3-phenylpropyl)benzene
CID 57054570
trimethoxy(12-phenyldodecyl)silane
CID 54325157
6-chloro-N-(3-phenylpropyl)pyrazin-2-amine
CID 11608477
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
1-chloro-2-hexyl-3-methoxybenzene
CID 166753940
3-chloro-N-(3-phenylpropyl)pyridin-4-amine
CID 79770520
2,3-dimethoxy-5-(5-phenylpentyl)aniline
CID 71371223
4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-2-(2-phenylethyl)-1H-cinnoline
CID 141015297
3-benzyl-1,2-dibutyl-4-methoxybenzene
CID 70537049
[4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine
CID 22685843
7-methoxyheptylbenzene
CID 54276867

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-5-(5-phenylpentyl)phthalazine?
The IUPAC name of 1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-5-(5-phenylpentyl)phthalazine (CID 18381615) is 1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-5-(5-phenylpentyl)phthalazine.
What is the SMILES notation for 1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-5-(5-phenylpentyl)phthalazine?
The canonical SMILES for 1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-5-(5-phenylpentyl)phthalazine is COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1CCCCCc1ccccc1.
What is the InChIKey of 1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-5-(5-phenylpentyl)phthalazine?
The InChIKey is AYHYIRASVWMGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N3O/c1-32-26-13-12-19-22(20(26)11-7-3-6-10-18-8-4-2-5-9-18)15-30-31-25(19)14-21-23(27)16-29-17-24(21)28/h2,4-5,8-9,12-13,15-17H,3,6-7,10-11,14H2,1H3.
What are the key properties of 1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-5-(5-phenylpentyl)phthalazine?
1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-5-(5-phenylpentyl)phthalazine has a molecular weight of 466.41 g/mol, XLogP of 6.89, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichloro-4-pyridinyl)methyl]-6-methoxy-5-(5-phenylpentyl)phthalazine is sourced from PubChem (CID 18381615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).