4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-N-propylphthalazin-1-amine

C18H18Cl2N4O — CID 18381597

IUPAC4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-N-propylphthalazin-1-amine
SMILESCCCNc1nnc(Cc2c(Cl)cncc2Cl)c2ccc(OC)cc12
InChIInChI=1S/C18H18Cl2N4O/c1-3-6-22-18-13-7-11(25-2)4-5-12(13)17(23-24-18)8-14-15(19)9-21-10-16(14)20/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,22,24)
InChIKeyJHDASKCSVXZNSZ-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.75
Rot. Bonds6

About 4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-N-propylphthalazin-1-amine

4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-N-propylphthalazin-1-amine (PubChem CID 18381597) has the molecular formula C18H18Cl2N4O and a molecular weight of 377.28 g/mol. Its IUPAC name is 4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-N-propylphthalazin-1-amine.

Molecular Properties

Compound Name4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-N-propylphthalazin-1-amine
PubChem CID18381597
Molecular FormulaC18H18Cl2N4O
Molecular Weight377.28 g/mol
Exact Mass376.09
IUPAC Name4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-N-propylphthalazin-1-amine
SMILESCCCNc1nnc(Cc2c(Cl)cncc2Cl)c2ccc(OC)cc12
InChIInChI=1S/C18H18Cl2N4O/c1-3-6-22-18-13-7-11(25-2)4-5-12(13)17(23-24-18)8-14-15(19)9-21-10-16(14)20/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,22,24)
InChIKeyJHDASKCSVXZNSZ-UHFFFAOYSA-N
XLogP4.75
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-N-propylphthalazin-1-amine?
The IUPAC name of 4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-N-propylphthalazin-1-amine (CID 18381597) is 4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-N-propylphthalazin-1-amine.
What is the SMILES notation for 4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-N-propylphthalazin-1-amine?
The canonical SMILES for 4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-N-propylphthalazin-1-amine is CCCNc1nnc(Cc2c(Cl)cncc2Cl)c2ccc(OC)cc12.
What is the InChIKey of 4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-N-propylphthalazin-1-amine?
The InChIKey is JHDASKCSVXZNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O/c1-3-6-22-18-13-7-11(25-2)4-5-12(13)17(23-24-18)8-14-15(19)9-21-10-16(14)20/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,22,24).
What are the key properties of 4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-N-propylphthalazin-1-amine?
4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-N-propylphthalazin-1-amine has a molecular weight of 377.28 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-N-propylphthalazin-1-amine is sourced from PubChem (CID 18381597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).