2-[5-(7-ethoxy-6-methoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide

C26H29N5O5 — CID 70691981

IUPAC2-[5-(7-ethoxy-6-methoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide
SMILESCCOc1cc2nccc(Oc3cnc(CC(=O)Nc4n[nH]c(CC)c4C)c(OC)c3)c2cc1OC
InChIInChI=1S/C26H29N5O5/c1-6-18-15(3)26(31-30-18)29-25(32)13-20-22(33-4)10-16(14-28-20)36-21-8-9-27-19-12-24(35-7-2)23(34-5)11-17(19)21/h8-12,14H,6-7,13H2,1-5H3,(H2,29,30,31,32)
InChIKeyLQNNUQKZSZVOBC-UHFFFAOYSA-N
MW491.55 g/mol
LogP4.61
Rot. Bonds10

About 2-[5-(7-ethoxy-6-methoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide

2-[5-(7-ethoxy-6-methoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 70691981) has the molecular formula C26H29N5O5 and a molecular weight of 491.55 g/mol. Its IUPAC name is 2-[5-(7-ethoxy-6-methoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[5-(7-ethoxy-6-methoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID70691981
Molecular FormulaC26H29N5O5
Molecular Weight491.55 g/mol
Exact Mass491.22
IUPAC Name2-[5-(7-ethoxy-6-methoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide
SMILESCCOc1cc2nccc(Oc3cnc(CC(=O)Nc4n[nH]c(CC)c4C)c(OC)c3)c2cc1OC
InChIInChI=1S/C26H29N5O5/c1-6-18-15(3)26(31-30-18)29-25(32)13-20-22(33-4)10-16(14-28-20)36-21-8-9-27-19-12-24(35-7-2)23(34-5)11-17(19)21/h8-12,14H,6-7,13H2,1-5H3,(H2,29,30,31,32)
InChIKeyLQNNUQKZSZVOBC-UHFFFAOYSA-N
XLogP4.61
TPSA120.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Pyrazoloquinazoline deriv., 25
CID 9958417
Pyrazoloquinazoline deriv., 24
CID 10128386
2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide
CID 10239608
N-(2,3-difluorophenyl)-2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]-1H-pyrazol-5-yl]acetamide
CID 10239769
Axl-IN-13
CID 139533572
Pyrazoloquinazoline deriv., 27
CID 10311891
Pyrazoloquinazoline deriv., 6
CID 16221284
Pyrazoloquinazoline deriv., 16
CID 16221630
2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1-ethylpyrazol-4-yl)acetamide
CID 70689792
1-(6-(6,7-dimethoxyquinolin-4-yloxy)-1-methyl-1H-indazol-3-yl)-3-(4-methoxyphenyl)urea
CID 11225774
Benzamide, N-[6-[(6,7-dimethoxy-4-quinolinyl)oxy]-1-methyl-1H-indazol-3-yl]-3-(trifluoromethyl)-
CID 11398307
n-(4,5-Dimethyl-1h-pyrazol-3-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yloxy)phenyl]acetamide
CID 24759094

Frequently Asked Questions

What is the IUPAC name of 2-[5-(7-ethoxy-6-methoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-[5-(7-ethoxy-6-methoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide (CID 70691981) is 2-[5-(7-ethoxy-6-methoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[5-(7-ethoxy-6-methoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[5-(7-ethoxy-6-methoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide is CCOc1cc2nccc(Oc3cnc(CC(=O)Nc4n[nH]c(CC)c4C)c(OC)c3)c2cc1OC.
What is the InChIKey of 2-[5-(7-ethoxy-6-methoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is LQNNUQKZSZVOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O5/c1-6-18-15(3)26(31-30-18)29-25(32)13-20-22(33-4)10-16(14-28-20)36-21-8-9-27-19-12-24(35-7-2)23(34-5)11-17(19)21/h8-12,14H,6-7,13H2,1-5H3,(H2,29,30,31,32).
What are the key properties of 2-[5-(7-ethoxy-6-methoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide?
2-[5-(7-ethoxy-6-methoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 491.55 g/mol, XLogP of 4.61, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(7-ethoxy-6-methoxyquinolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 70691981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).