N-(3-methoxyphenyl)-2-[4-[7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide

C28H32N6O5 — CID 57401785

IUPACN-(3-methoxyphenyl)-2-[4-[7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide
SMILESCOc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OCCN5CCCCC5)cc34)cn2)c1
InChIInChI=1S/C28H32N6O5/c1-36-21-8-6-7-20(13-21)32-27(35)18-34-17-22(16-31-34)39-28-23-14-26(25(37-2)15-24(23)29-19-30-28)38-12-11-33-9-4-3-5-10-33/h6-8,13-17,19H,3-5,9-12,18H2,1-2H3,(H,32,35)
InChIKeyOSEYUXXMDLYZKE-UHFFFAOYSA-N
MW532.60 g/mol
LogP4.14
Rot. Bonds11

About N-(3-methoxyphenyl)-2-[4-[7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide

N-(3-methoxyphenyl)-2-[4-[7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide (PubChem CID 57401785) has the molecular formula C28H32N6O5 and a molecular weight of 532.60 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[4-[7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[4-[7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide
PubChem CID57401785
Molecular FormulaC28H32N6O5
Molecular Weight532.60 g/mol
Exact Mass532.24
IUPAC NameN-(3-methoxyphenyl)-2-[4-[7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide
SMILESCOc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OCCN5CCCCC5)cc34)cn2)c1
InChIInChI=1S/C28H32N6O5/c1-36-21-8-6-7-20(13-21)32-27(35)18-34-17-22(16-31-34)39-28-23-14-26(25(37-2)15-24(23)29-19-30-28)38-12-11-33-9-4-3-5-10-33/h6-8,13-17,19H,3-5,9-12,18H2,1-2H3,(H,32,35)
InChIKeyOSEYUXXMDLYZKE-UHFFFAOYSA-N
XLogP4.14
TPSA112.86 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.60
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

PQ-10
CID 11955614
4-Aminopyrazole quinazoline, 6
CID 11249657
4-Aminopyrazole quinazoline, 5
CID 11330284
4-Aminopyrazole quinazoline, 3
CID 25138093
4-Aminopyrazole quinazoline, 4
CID 25138094
Axl-IN-13
CID 139533572
N-{5-[(6,7-Dimethoxyquinolin-4-Yl)oxy]pyridin-2-Yl}-1-Methyl-3-Oxo-2-Phenyl-5-(Pyridin-4-Yl)-2,3-Dihydro-1h-Pyrazole-4-Carboxamide
CID 11963346
Ldc1267
CID 56847486
N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yltriazol-1-yl)acetamide
CID 134814268
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 57403506
1-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-indazol-3-yl)-3-(4-methoxyphenyl)urea
CID 11225774
2-{4-[(6,7-Dimethoxyquinazolin-4-yl)amino]-1h-pyrazol-1-yl}-n-(3-fluorophenyl)acetamide
CID 57391179

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[4-[7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[4-[7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide (CID 57401785) is N-(3-methoxyphenyl)-2-[4-[7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[4-[7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[4-[7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide is COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)c(OCCN5CCCCC5)cc34)cn2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[4-[7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide?
The InChIKey is OSEYUXXMDLYZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O5/c1-36-21-8-6-7-20(13-21)32-27(35)18-34-17-22(16-31-34)39-28-23-14-26(25(37-2)15-24(23)29-19-30-28)38-12-11-33-9-4-3-5-10-33/h6-8,13-17,19H,3-5,9-12,18H2,1-2H3,(H,32,35).
What are the key properties of N-(3-methoxyphenyl)-2-[4-[7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide?
N-(3-methoxyphenyl)-2-[4-[7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide has a molecular weight of 532.60 g/mol, XLogP of 4.14, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[4-[7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide is sourced from PubChem (CID 57401785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).