N-(2,4-dimethoxyphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine

C22H20N4O2 — CID 20875725

IUPACN-(2,4-dimethoxyphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
SMILESCOc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c(OC)c1
InChIInChI=1S/C22H20N4O2/c1-27-16-7-8-19(21(14-16)28-2)24-22-18-6-4-3-5-17(18)20(25-26-22)13-15-9-11-23-12-10-15/h3-12,14H,13H2,1-2H3,(H,24,26)
InChIKeyYSVCDDYRYVYCHE-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.38
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine

N-(2,4-dimethoxyphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine (PubChem CID 20875725) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
PubChem CID20875725
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC NameN-(2,4-dimethoxyphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
SMILESCOc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c(OC)c1
InChIInChI=1S/C22H20N4O2/c1-27-16-7-8-19(21(14-16)28-2)24-22-18-6-4-3-5-17(18)20(25-26-22)13-15-9-11-23-12-10-15/h3-12,14H,13H2,1-2H3,(H,24,26)
InChIKeyYSVCDDYRYVYCHE-UHFFFAOYSA-N
XLogP4.38
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine (CID 20875725) is N-(2,4-dimethoxyphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine is COc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
The InChIKey is YSVCDDYRYVYCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-27-16-7-8-19(21(14-16)28-2)24-22-18-6-4-3-5-17(18)20(25-26-22)13-15-9-11-23-12-10-15/h3-12,14H,13H2,1-2H3,(H,24,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
N-(2,4-dimethoxyphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine has a molecular weight of 372.43 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine is sourced from PubChem (CID 20875725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).