5-chloro-2-[4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol

C20H21ClN4O — CID 170156820

IUPAC5-chloro-2-[4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol
SMILESCN1CCCC(Nc2nnc(-c3ccc(Cl)cc3O)c3ccccc23)C1
InChIInChI=1S/C20H21ClN4O/c1-25-10-4-5-14(12-25)22-20-16-7-3-2-6-15(16)19(23-24-20)17-9-8-13(21)11-18(17)26/h2-3,6-9,11,14,26H,4-5,10,12H2,1H3,(H,22,24)
InChIKeyXDGRYRLQHHVCPM-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.16
Rot. Bonds3

About 5-chloro-2-[4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol

5-chloro-2-[4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol (PubChem CID 170156820) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 5-chloro-2-[4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol.

Molecular Properties

Compound Name5-chloro-2-[4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol
PubChem CID170156820
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name5-chloro-2-[4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol
SMILESCN1CCCC(Nc2nnc(-c3ccc(Cl)cc3O)c3ccccc23)C1
InChIInChI=1S/C20H21ClN4O/c1-25-10-4-5-14(12-25)22-20-16-7-3-2-6-15(16)19(23-24-20)17-9-8-13(21)11-18(17)26/h2-3,6-9,11,14,26H,4-5,10,12H2,1H3,(H,22,24)
InChIKeyXDGRYRLQHHVCPM-UHFFFAOYSA-N
XLogP4.16
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(3S)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]-5-(trifluoromethyl)phenol
CID 171852579
2-fluoro-3-methyl-6-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]phenol
CID 171852070
5-chloro-2-[5-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
CID 170381656
5-bromo-2-[6-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]phenol
CID 166151317
4-(4-cyclopropyl-2-methoxyphenyl)-N-[(3R)-1-methylpiperidin-3-yl]phthalazin-1-amine
CID 166151208
5-bromo-2-[6-methyl-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol
CID 175368342
5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]thieno[3,4-d]pyridazin-1-yl]phenol
CID 166460066
2-[6-cyclopropyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]-5-methylphenol
CID 166151402
5-cyclopropyl-2-[6-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]phenol
CID 166151238
2-[6-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]-5-methylphenol
CID 175368068
2-[5-fluoro-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]-5-(trifluoromethyl)phenol
CID 170259637
[2-amino-3-chloro-6-[4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]phenyl] formate
CID 171852088

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol?
The IUPAC name of 5-chloro-2-[4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol (CID 170156820) is 5-chloro-2-[4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol.
What is the SMILES notation for 5-chloro-2-[4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol?
The canonical SMILES for 5-chloro-2-[4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol is CN1CCCC(Nc2nnc(-c3ccc(Cl)cc3O)c3ccccc23)C1.
What is the InChIKey of 5-chloro-2-[4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol?
The InChIKey is XDGRYRLQHHVCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-25-10-4-5-14(12-25)22-20-16-7-3-2-6-15(16)19(23-24-20)17-9-8-13(21)11-18(17)26/h2-3,6-9,11,14,26H,4-5,10,12H2,1H3,(H,22,24).
What are the key properties of 5-chloro-2-[4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol?
5-chloro-2-[4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol has a molecular weight of 368.87 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol is sourced from PubChem (CID 170156820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).