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

C23H20N4O3 — CID 1384560

IUPAC5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)ccc1OC
InChIInChI=1S/C23H20N4O3/c1-24-23(29)19-13-15(9-12-20(19)30-2)25-22-18-6-4-3-5-17(18)21(26-27-22)14-7-10-16(28)11-8-14/h3-13,28H,1-2H3,(H,24,29)(H,25,27)
InChIKeyRCEANUNURZUXKV-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.11
Rot. Bonds5

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

5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide (PubChem CID 1384560) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide
PubChem CID1384560
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)ccc1OC
InChIInChI=1S/C23H20N4O3/c1-24-23(29)19-13-15(9-12-20(19)30-2)25-22-18-6-4-3-5-17(18)21(26-27-22)14-7-10-16(28)11-8-14/h3-13,28H,1-2H3,(H,24,29)(H,25,27)
InChIKeyRCEANUNURZUXKV-UHFFFAOYSA-N
XLogP4.11
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide?
The IUPAC name of 5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide (CID 1384560) is 5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide?
The canonical SMILES for 5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide is CNC(=O)c1cc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)ccc1OC.
What is the InChIKey of 5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide?
The InChIKey is RCEANUNURZUXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-24-23(29)19-13-15(9-12-20(19)30-2)25-22-18-6-4-3-5-17(18)21(26-27-22)14-7-10-16(28)11-8-14/h3-13,28H,1-2H3,(H,24,29)(H,25,27).
What are the key properties of 5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide?
5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide has a molecular weight of 400.44 g/mol, XLogP of 4.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 1384560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).