2-[5-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide

C23H24N6O5 — CID 24758527

IUPAC2-[5-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide
SMILESCOc1cc2ncnc(Oc3cnc(CC(=O)Nc4cn(C)nc4C)c(OC)c3)c2cc1OC
InChIInChI=1S/C23H24N6O5/c1-13-18(11-29(2)28-13)27-22(30)9-17-19(31-3)6-14(10-24-17)34-23-15-7-20(32-4)21(33-5)8-16(15)25-12-26-23/h6-8,10-12H,9H2,1-5H3,(H,27,30)
InChIKeyNEGYLBSEIZZGTH-UHFFFAOYSA-N
MW464.48 g/mol
LogP3.07
Rot. Bonds8

About 2-[5-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide

2-[5-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide (PubChem CID 24758527) has the molecular formula C23H24N6O5 and a molecular weight of 464.48 g/mol. Its IUPAC name is 2-[5-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[5-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide
PubChem CID24758527
Molecular FormulaC23H24N6O5
Molecular Weight464.48 g/mol
Exact Mass464.18
IUPAC Name2-[5-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide
SMILESCOc1cc2ncnc(Oc3cnc(CC(=O)Nc4cn(C)nc4C)c(OC)c3)c2cc1OC
InChIInChI=1S/C23H24N6O5/c1-13-18(11-29(2)28-13)27-22(30)9-17-19(31-3)6-14(10-24-17)34-23-15-7-20(32-4)21(33-5)8-16(15)25-12-26-23/h6-8,10-12H,9H2,1-5H3,(H,27,30)
InChIKeyNEGYLBSEIZZGTH-UHFFFAOYSA-N
XLogP3.07
TPSA122.51 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methoxyphenyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide
CID 24759091
N-(1,3-dimethylpyrazol-4-yl)-2-[2-methoxy-4-(7-methoxyquinolin-4-yl)oxyphenyl]acetamide;sulfuric acid
CID 67304696
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-methoxyphenyl)acetamide
CID 57396557
ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
CID 54582388
2-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)oxypyrazol-1-yl]acetic acid
CID 69078853
2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetic acid
CID 69074338
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride
CID 86238128
2-[4-[7-(2-hydroxyethoxy)-6-methoxyquinazolin-4-yl]oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 11626865
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 66906894
2-[5-(6,7-dimethoxyquinazolin-4-yl)oxy-2-pyridinyl]-N-(1,2,3,4-tetrahydroquinolin-7-yl)acetamide
CID 16730090
1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
CID 22667241
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[3-(methylaminomethyl)phenyl]acetamide
CID 69081246

Frequently Asked Questions

What is the IUPAC name of 2-[5-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[5-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide (CID 24758527) is 2-[5-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[5-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[5-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide is COc1cc2ncnc(Oc3cnc(CC(=O)Nc4cn(C)nc4C)c(OC)c3)c2cc1OC.
What is the InChIKey of 2-[5-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide?
The InChIKey is NEGYLBSEIZZGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O5/c1-13-18(11-29(2)28-13)27-22(30)9-17-19(31-3)6-14(10-24-17)34-23-15-7-20(32-4)21(33-5)8-16(15)25-12-26-23/h6-8,10-12H,9H2,1-5H3,(H,27,30).
What are the key properties of 2-[5-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide?
2-[5-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide has a molecular weight of 464.48 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxy-2-pyridinyl]-N-(1,3-dimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 24758527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).