[2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]-piperidin-1-ylmethanone

C28H28N4O3 — CID 6403605

IUPAC[2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2nnc(Nc3ccc(OC)c(C(=O)N4CCCCC4)c3)c3ccccc23)cc1
InChIInChI=1S/C28H28N4O3/c1-34-21-13-10-19(11-14-21)26-22-8-4-5-9-23(22)27(31-30-26)29-20-12-15-25(35-2)24(18-20)28(33)32-16-6-3-7-17-32/h4-5,8-15,18H,3,6-7,16-17H2,1-2H3,(H,29,31)
InChIKeyCOJWCRPFKORDKF-UHFFFAOYSA-N
MW468.56 g/mol
LogP5.68
Rot. Bonds6

About [2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]-piperidin-1-ylmethanone

[2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]-piperidin-1-ylmethanone (PubChem CID 6403605) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is [2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]-piperidin-1-ylmethanone
PubChem CID6403605
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name[2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2nnc(Nc3ccc(OC)c(C(=O)N4CCCCC4)c3)c3ccccc23)cc1
InChIInChI=1S/C28H28N4O3/c1-34-21-13-10-19(11-14-21)26-22-8-4-5-9-23(22)27(31-30-26)29-20-12-15-25(35-2)24(18-20)28(33)32-16-6-3-7-17-32/h4-5,8-15,18H,3,6-7,16-17H2,1-2H3,(H,29,31)
InChIKeyCOJWCRPFKORDKF-UHFFFAOYSA-N
XLogP5.68
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

2-methoxy-N-methyl-5-[(4-methylphthalazin-1-yl)amino]benzamide
CID 1394690
2-methoxy-N-methyl-5-{[4-(4-methyl-3-sulfamoylphenyl)phthalazin-1-yl]amino}benzamide
CID 1417677
5-({4-[3-(cyclohexylsulfamoyl)-4-methylphenyl]phthalazin-1-yl}amino)-2-methoxy-N-methylbenzamide
CID 6412329
4-{4-[(4-Methoxyphenyl)amino]phthalazin-1-yl}benzamide
CID 1391316
5-((4-(4-Hydroxyphenyl)phthalazin-1-yl)amino)-2-methoxybenzamide
CID 1384343
N,N-diethyl-4-((4-(4-hydroxyphenyl)phthalazin-1-yl)amino)benzamide
CID 1389743
[2-Methoxy-5-[[4-(4-methylphenyl)-1-phthalazinyl]amino]phenyl]-(1-piperidinyl)methanone
CID 6407317
N-Cyclohexyl-3-[6-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-pyridazin-3-ylamino]-N-methyl-benzamide
CID 6411222
(2-Methoxy-5-((4-phenylphthalazin-1-yl)amino)phenyl)(piperidin-1-yl)methanone
CID 6413332
(4-(4-(4-Methoxyphenyl)phthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 46891044
(4-(4-(3-Methoxyphenyl)phthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 46891046
(R)-4-(4-(4-benzoyl-2-methylpiperazin-1-yl)phthalazin-1-yl)phenyl acetate
CID 49862269

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]-piperidin-1-ylmethanone (CID 6403605) is [2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]-piperidin-1-ylmethanone is COc1ccc(-c2nnc(Nc3ccc(OC)c(C(=O)N4CCCCC4)c3)c3ccccc23)cc1.
What is the InChIKey of [2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]-piperidin-1-ylmethanone?
The InChIKey is COJWCRPFKORDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-34-21-13-10-19(11-14-21)26-22-8-4-5-9-23(22)27(31-30-26)29-20-12-15-25(35-2)24(18-20)28(33)32-16-6-3-7-17-32/h4-5,8-15,18H,3,6-7,16-17H2,1-2H3,(H,29,31).
What are the key properties of [2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]-piperidin-1-ylmethanone?
[2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]-piperidin-1-ylmethanone has a molecular weight of 468.56 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 6403605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).