4-[4-(4-methoxyanilino)phthalazin-1-yl]phenol

C21H17N3O2 — CID 1394168

IUPAC4-[4-(4-methoxyanilino)phthalazin-1-yl]phenol
SMILESCOc1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1
InChIInChI=1S/C21H17N3O2/c1-26-17-12-8-15(9-13-17)22-21-19-5-3-2-4-18(19)20(23-24-21)14-6-10-16(25)11-7-14/h2-13,25H,1H3,(H,22,24)
InChIKeyDXQIHTMNHOKVRX-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.75
Rot. Bonds4

About 4-[4-(4-methoxyanilino)phthalazin-1-yl]phenol

4-[4-(4-methoxyanilino)phthalazin-1-yl]phenol (PubChem CID 1394168) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-[4-(4-methoxyanilino)phthalazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(4-methoxyanilino)phthalazin-1-yl]phenol
PubChem CID1394168
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name4-[4-(4-methoxyanilino)phthalazin-1-yl]phenol
SMILESCOc1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1
InChIInChI=1S/C21H17N3O2/c1-26-17-12-8-15(9-13-17)22-21-19-5-3-2-4-18(19)20(23-24-21)14-6-10-16(25)11-7-14/h2-13,25H,1H3,(H,22,24)
InChIKeyDXQIHTMNHOKVRX-UHFFFAOYSA-N
XLogP4.75
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-4-methylphthalazin-1-amine
CID 3124064
3-{[(1Z)-4-(4-hydroxyphenyl)phthalazin-1(2H)-ylidene]amino}phenol
CID 1419264
4-((4-(4-Ethoxyphenyl)phthalazin-1-yl)amino)benzenesulfonamide
CID 6403594
4-(4-ethoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine
CID 6407032
4-{4-[(4-Methoxyphenyl)amino]phthalazin-1-yl}benzamide
CID 1391316
N-(4-{[4-(4-hydroxyphenyl)phthalazin-1-yl]amino}phenyl)acetamide
CID 1419995
4-(4-methoxyphenyl)-N-phenylphthalazin-1-amine
CID 5494639
4-[4-(Phenylamino)phthalazin-1-yl]phenol
CID 1416233
5-((4-(4-Hydroxyphenyl)phthalazin-1-yl)amino)-2-methoxybenzamide
CID 1384343
4-(4-methoxyphenyl)-N-(4-methylphenyl)phthalazin-1-amine
CID 5494638
N-(3-methylphenyl)-4-[4-(prop-2-yn-1-yloxy)phenyl]phthalazin-1-amine
CID 6407333
4-(4-methoxyphenyl)-N-(3-methylphenyl)phthalazin-1-amine
CID 17129186

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyanilino)phthalazin-1-yl]phenol?
The IUPAC name of 4-[4-(4-methoxyanilino)phthalazin-1-yl]phenol (CID 1394168) is 4-[4-(4-methoxyanilino)phthalazin-1-yl]phenol.
What is the SMILES notation for 4-[4-(4-methoxyanilino)phthalazin-1-yl]phenol?
The canonical SMILES for 4-[4-(4-methoxyanilino)phthalazin-1-yl]phenol is COc1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-[4-(4-methoxyanilino)phthalazin-1-yl]phenol?
The InChIKey is DXQIHTMNHOKVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-26-17-12-8-15(9-13-17)22-21-19-5-3-2-4-18(19)20(23-24-21)14-6-10-16(25)11-7-14/h2-13,25H,1H3,(H,22,24).
What are the key properties of 4-[4-(4-methoxyanilino)phthalazin-1-yl]phenol?
4-[4-(4-methoxyanilino)phthalazin-1-yl]phenol has a molecular weight of 343.39 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyanilino)phthalazin-1-yl]phenol is sourced from PubChem (CID 1394168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).