N-[4-[[4-[[7-methoxy-4-(4-methoxyphenyl)phthalazin-1-yl]amino]piperidin-1-yl]methyl]phenyl]acetamide;dihydrochloride

C30H35Cl2N5O3 — CID 69213082

IUPACN-[4-[[4-[[7-methoxy-4-(4-methoxyphenyl)phthalazin-1-yl]amino]piperidin-1-yl]methyl]phenyl]acetamide;dihydrochloride
SMILESCOc1ccc(-c2nnc(NC3CCN(Cc4ccc(NC(C)=O)cc4)CC3)c3cc(OC)ccc23)cc1.Cl.Cl
InChIInChI=1S/C30H33N5O3.2ClH/c1-20(36)31-23-8-4-21(5-9-23)19-35-16-14-24(15-17-35)32-30-28-18-26(38-3)12-13-27(28)29(33-34-30)22-6-10-25(37-2)11-7-22;;/h4-13,18,24H,14-17,19H2,1-3H3,(H,31,36)(H,32,34);2*1H
InChIKeySPVGQDGGVKUGJR-UHFFFAOYSA-N
MW584.55 g/mol
LogP6.19
Rot. Bonds8

About N-[4-[[4-[[7-methoxy-4-(4-methoxyphenyl)phthalazin-1-yl]amino]piperidin-1-yl]methyl]phenyl]acetamide;dihydrochloride

N-[4-[[4-[[7-methoxy-4-(4-methoxyphenyl)phthalazin-1-yl]amino]piperidin-1-yl]methyl]phenyl]acetamide;dihydrochloride (PubChem CID 69213082) has the molecular formula C30H35Cl2N5O3 and a molecular weight of 584.55 g/mol. Its IUPAC name is N-[4-[[4-[[7-methoxy-4-(4-methoxyphenyl)phthalazin-1-yl]amino]piperidin-1-yl]methyl]phenyl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[[4-[[7-methoxy-4-(4-methoxyphenyl)phthalazin-1-yl]amino]piperidin-1-yl]methyl]phenyl]acetamide;dihydrochloride
PubChem CID69213082
Molecular FormulaC30H35Cl2N5O3
Molecular Weight584.55 g/mol
Exact Mass583.21
IUPAC NameN-[4-[[4-[[7-methoxy-4-(4-methoxyphenyl)phthalazin-1-yl]amino]piperidin-1-yl]methyl]phenyl]acetamide;dihydrochloride
SMILESCOc1ccc(-c2nnc(NC3CCN(Cc4ccc(NC(C)=O)cc4)CC3)c3cc(OC)ccc23)cc1.Cl.Cl
InChIInChI=1S/C30H33N5O3.2ClH/c1-20(36)31-23-8-4-21(5-9-23)19-35-16-14-24(15-17-35)32-30-28-18-26(38-3)12-13-27(28)29(33-34-30)22-6-10-25(37-2)11-7-22;;/h4-13,18,24H,14-17,19H2,1-3H3,(H,31,36)(H,32,34);2*1H
InChIKeySPVGQDGGVKUGJR-UHFFFAOYSA-N
XLogP6.19
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.55
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-methoxy-4-(4-methoxyphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phthalazin-1-amine
CID 69213049
7-methoxy-4-(4-methoxyphenyl)-N-[1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]piperidin-4-yl]phthalazin-1-amine;trihydrochloride
CID 68922149
N-[1-[[4-(2-aminopropan-2-yl)phenyl]methyl]piperidin-4-yl]-7-methoxy-4-(4-methoxyphenyl)phthalazin-1-amine
CID 69211571
7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-(4-phenylphenyl)phthalazin-1-amine;dihydrochloride
CID 69209038
7-methoxy-4-(4-methoxyphenyl)-N-[1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]piperidin-4-yl]phthalazin-1-amine;trihydrochloride
CID 68918799
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-7-methoxy-4-(4-methoxyphenyl)phthalazin-1-amine;dihydrochloride
CID 69214026
7-methoxy-4-(4-methylphenyl)-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]phthalazin-1-amine
CID 69210826
4-(4-fluorophenyl)-7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]phthalazin-1-amine
CID 69211505
7-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-4-[4-(trifluoromethyl)phenyl]phthalazin-1-amine
CID 69209047
N-[1-[[3-fluoro-4-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]piperidin-4-yl]-7-methoxy-4-(4-methoxyphenyl)phthalazin-1-amine;trihydrochloride
CID 68919183
7-methoxy-4-(4-methoxyphenyl)-N-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]phthalazin-1-amine;dihydrochloride
CID 69214957
7-methoxy-4-(4-methoxyphenyl)-N-[8-(naphthalen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]phthalazin-1-amine
CID 69209471

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[[7-methoxy-4-(4-methoxyphenyl)phthalazin-1-yl]amino]piperidin-1-yl]methyl]phenyl]acetamide;dihydrochloride?
The IUPAC name of N-[4-[[4-[[7-methoxy-4-(4-methoxyphenyl)phthalazin-1-yl]amino]piperidin-1-yl]methyl]phenyl]acetamide;dihydrochloride (CID 69213082) is N-[4-[[4-[[7-methoxy-4-(4-methoxyphenyl)phthalazin-1-yl]amino]piperidin-1-yl]methyl]phenyl]acetamide;dihydrochloride.
What is the SMILES notation for N-[4-[[4-[[7-methoxy-4-(4-methoxyphenyl)phthalazin-1-yl]amino]piperidin-1-yl]methyl]phenyl]acetamide;dihydrochloride?
The canonical SMILES for N-[4-[[4-[[7-methoxy-4-(4-methoxyphenyl)phthalazin-1-yl]amino]piperidin-1-yl]methyl]phenyl]acetamide;dihydrochloride is COc1ccc(-c2nnc(NC3CCN(Cc4ccc(NC(C)=O)cc4)CC3)c3cc(OC)ccc23)cc1.Cl.Cl.
What is the InChIKey of N-[4-[[4-[[7-methoxy-4-(4-methoxyphenyl)phthalazin-1-yl]amino]piperidin-1-yl]methyl]phenyl]acetamide;dihydrochloride?
The InChIKey is SPVGQDGGVKUGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O3.2ClH/c1-20(36)31-23-8-4-21(5-9-23)19-35-16-14-24(15-17-35)32-30-28-18-26(38-3)12-13-27(28)29(33-34-30)22-6-10-25(37-2)11-7-22;;/h4-13,18,24H,14-17,19H2,1-3H3,(H,31,36)(H,32,34);2*1H.
What are the key properties of N-[4-[[4-[[7-methoxy-4-(4-methoxyphenyl)phthalazin-1-yl]amino]piperidin-1-yl]methyl]phenyl]acetamide;dihydrochloride?
N-[4-[[4-[[7-methoxy-4-(4-methoxyphenyl)phthalazin-1-yl]amino]piperidin-1-yl]methyl]phenyl]acetamide;dihydrochloride has a molecular weight of 584.55 g/mol, XLogP of 6.19, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[[7-methoxy-4-(4-methoxyphenyl)phthalazin-1-yl]amino]piperidin-1-yl]methyl]phenyl]acetamide;dihydrochloride is sourced from PubChem (CID 69213082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).