2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide

C23H22N4O5 — CID 57396541

IUPAC2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cc(Oc3ccnc4cc(OC)c(OC)cc34)cn2)c1
InChIInChI=1S/C23H22N4O5/c1-29-16-6-4-5-15(9-16)26-23(28)14-27-13-17(12-25-27)32-20-7-8-24-19-11-22(31-3)21(30-2)10-18(19)20/h4-13H,14H2,1-3H3,(H,26,28)
InChIKeyNZTCZQRXCIAJMP-UHFFFAOYSA-N
MW434.45 g/mol
LogP3.89
Rot. Bonds8

About 2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide

2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 57396541) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is 2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID57396541
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC Name2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cc(Oc3ccnc4cc(OC)c(OC)cc34)cn2)c1
InChIInChI=1S/C23H22N4O5/c1-29-16-6-4-5-15(9-16)26-23(28)14-27-13-17(12-25-27)32-20-7-8-24-19-11-22(31-3)21(30-2)10-18(19)20/h4-13H,14H2,1-3H3,(H,26,28)
InChIKeyNZTCZQRXCIAJMP-UHFFFAOYSA-N
XLogP3.89
TPSA96.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 57393063
N-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 54359484
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[3-(methylaminomethyl)phenyl]acetamide
CID 69081246
2-[5-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide
CID 68959522
N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-(3-methoxyphenyl)acetamide
CID 59791994
N-(4-chloro-3-formylphenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]acetamide
CID 86627017
N-(3-bromopropyl)-3-(6,7-dimethoxyquinolin-4-yl)oxyaniline
CID 126738314
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074
7-methoxy-4-(3-methoxyphenoxy)-N-methylquinoline-6-carboxamide
CID 69131598
N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-2-[3-(fluoromethyl)phenyl]acetamide
CID 143025933
2-(3,4-dimethoxyphenyl)-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 152648895
N-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-3-phenylpropanamide
CID 90768602

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide (CID 57396541) is 2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cn2cc(Oc3ccnc4cc(OC)c(OC)cc34)cn2)c1.
What is the InChIKey of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is NZTCZQRXCIAJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5/c1-29-16-6-4-5-15(9-16)26-23(28)14-27-13-17(12-25-27)32-20-7-8-24-19-11-22(31-3)21(30-2)10-18(19)20/h4-13H,14H2,1-3H3,(H,26,28).
What are the key properties of 2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide?
2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 434.45 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 57396541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).