5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxybenzamide

C22H18N4O3 — CID 1384343

IUPAC5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxybenzamide
SMILESCOc1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1C(N)=O
InChIInChI=1S/C22H18N4O3/c1-29-19-11-8-14(12-18(19)21(23)28)24-22-17-5-3-2-4-16(17)20(25-26-22)13-6-9-15(27)10-7-13/h2-12,27H,1H3,(H2,23,28)(H,24,26)
InChIKeyLGIAETWKSXMAPI-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.85
Rot. Bonds5

About 5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxybenzamide

5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxybenzamide (PubChem CID 1384343) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxybenzamide.

Molecular Properties

Compound Name5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxybenzamide
PubChem CID1384343
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxybenzamide
SMILESCOc1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1C(N)=O
InChIInChI=1S/C22H18N4O3/c1-29-19-11-8-14(12-18(19)21(23)28)24-22-17-5-3-2-4-16(17)20(25-26-22)13-6-9-15(27)10-7-13/h2-12,27H,1H3,(H2,23,28)(H,24,26)
InChIKeyLGIAETWKSXMAPI-UHFFFAOYSA-N
XLogP3.85
TPSA110.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.85
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-methoxybenzamide?
The IUPAC name of 5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxybenzamide (CID 1384343) is 5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxybenzamide.
What is the SMILES notation for 5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxybenzamide?
The canonical SMILES for 5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxybenzamide is COc1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1C(N)=O.
What is the InChIKey of 5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxybenzamide?
The InChIKey is LGIAETWKSXMAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-29-19-11-8-14(12-18(19)21(23)28)24-22-17-5-3-2-4-16(17)20(25-26-22)13-6-9-15(27)10-7-13/h2-12,27H,1H3,(H2,23,28)(H,24,26).
What are the key properties of 5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxybenzamide?
5-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-2-methoxybenzamide has a molecular weight of 386.41 g/mol, XLogP of 3.85, 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-methoxybenzamide is sourced from PubChem (CID 1384343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).