5-[[4-(4-ethoxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide

C25H24N4O3 — CID 6403593

IUPAC5-[[4-(4-ethoxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide
SMILESCCOc1ccc(-c2nnc(Nc3ccc(OC)c(C(=O)NC)c3)c3ccccc23)cc1
InChIInChI=1S/C25H24N4O3/c1-4-32-18-12-9-16(10-13-18)23-19-7-5-6-8-20(19)24(29-28-23)27-17-11-14-22(31-3)21(15-17)25(30)26-2/h5-15H,4H2,1-3H3,(H,26,30)(H,27,29)
InChIKeySLRJJYCIVPVVOW-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.81
Rot. Bonds7

About 5-[[4-(4-ethoxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide

5-[[4-(4-ethoxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide (PubChem CID 6403593) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 5-[[4-(4-ethoxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name5-[[4-(4-ethoxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide
PubChem CID6403593
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name5-[[4-(4-ethoxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide
SMILESCCOc1ccc(-c2nnc(Nc3ccc(OC)c(C(=O)NC)c3)c3ccccc23)cc1
InChIInChI=1S/C25H24N4O3/c1-4-32-18-12-9-16(10-13-18)23-19-7-5-6-8-20(19)24(29-28-23)27-17-11-14-22(31-3)21(15-17)25(30)26-2/h5-15H,4H2,1-3H3,(H,26,30)(H,27,29)
InChIKeySLRJJYCIVPVVOW-UHFFFAOYSA-N
XLogP4.81
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-ethoxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide?
The IUPAC name of 5-[[4-(4-ethoxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide (CID 6403593) is 5-[[4-(4-ethoxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 5-[[4-(4-ethoxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide?
The canonical SMILES for 5-[[4-(4-ethoxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide is CCOc1ccc(-c2nnc(Nc3ccc(OC)c(C(=O)NC)c3)c3ccccc23)cc1.
What is the InChIKey of 5-[[4-(4-ethoxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide?
The InChIKey is SLRJJYCIVPVVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-4-32-18-12-9-16(10-13-18)23-19-7-5-6-8-20(19)24(29-28-23)27-17-11-14-22(31-3)21(15-17)25(30)26-2/h5-15H,4H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 5-[[4-(4-ethoxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide?
5-[[4-(4-ethoxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide has a molecular weight of 428.49 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-ethoxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 6403593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).