2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide

C23H24N6O5 — CID 68959522

IUPAC2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide
SMILESCOCCn1cc(NC(=O)Cc2ncc(Oc3ccnc4cc(OC)c(OC)cc34)cn2)cn1
InChIInChI=1S/C23H24N6O5/c1-31-7-6-29-14-15(11-27-29)28-23(30)10-22-25-12-16(13-26-22)34-19-4-5-24-18-9-21(33-3)20(32-2)8-17(18)19/h4-5,8-9,11-14H,6-7,10H2,1-3H3,(H,28,30)
InChIKeyAXKBSFRDUZKCOL-UHFFFAOYSA-N
MW464.48 g/mol
LogP2.86
Rot. Bonds10

About 2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide

2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide (PubChem CID 68959522) has the molecular formula C23H24N6O5 and a molecular weight of 464.48 g/mol. Its IUPAC name is 2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide
PubChem CID68959522
Molecular FormulaC23H24N6O5
Molecular Weight464.48 g/mol
Exact Mass464.18
IUPAC Name2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide
SMILESCOCCn1cc(NC(=O)Cc2ncc(Oc3ccnc4cc(OC)c(OC)cc34)cn2)cn1
InChIInChI=1S/C23H24N6O5/c1-31-7-6-29-14-15(11-27-29)28-23(30)10-22-25-12-16(13-26-22)34-19-4-5-24-18-9-21(33-3)20(32-2)8-17(18)19/h4-5,8-9,11-14H,6-7,10H2,1-3H3,(H,28,30)
InChIKeyAXKBSFRDUZKCOL-UHFFFAOYSA-N
XLogP2.86
TPSA122.51 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)acetamide
CID 68956688
2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 57396541
2-(3,4-dimethoxyphenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 152648895
2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide
CID 24759091
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
2-amino-4-[4-[4-(2-anilino-2-oxoethyl)phenoxy]-6-methoxyquinolin-7-yl]oxybutanoic acid;ethane
CID 143322288
N-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 54359484
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-methylurea
CID 23084603
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide
CID 114325867
1-[2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 56603459
2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(4-ethyl-1H-pyrazol-5-yl)acetamide
CID 24759093

Frequently Asked Questions

What is the IUPAC name of 2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide (CID 68959522) is 2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide is COCCn1cc(NC(=O)Cc2ncc(Oc3ccnc4cc(OC)c(OC)cc34)cn2)cn1.
What is the InChIKey of 2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide?
The InChIKey is AXKBSFRDUZKCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O5/c1-31-7-6-29-14-15(11-27-29)28-23(30)10-22-25-12-16(13-26-22)34-19-4-5-24-18-9-21(33-3)20(32-2)8-17(18)19/h4-5,8-9,11-14H,6-7,10H2,1-3H3,(H,28,30).
What are the key properties of 2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide?
2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide has a molecular weight of 464.48 g/mol, XLogP of 2.86, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 68959522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).