2-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)oxypyrazol-1-yl]acetic acid

C16H16N4O5 — CID 69078853

IUPAC2-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)oxypyrazol-1-yl]acetic acid
SMILESCCOc1cc2ncnc(Oc3cnn(CC(=O)O)c3)c2cc1OC
InChIInChI=1S/C16H16N4O5/c1-3-24-14-5-12-11(4-13(14)23-2)16(18-9-17-12)25-10-6-19-20(7-10)8-15(21)22/h4-7,9H,3,8H2,1-2H3,(H,21,22)
InChIKeyDVMFPDHVCGZQPS-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.11
Rot. Bonds7

About 2-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)oxypyrazol-1-yl]acetic acid

2-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)oxypyrazol-1-yl]acetic acid (PubChem CID 69078853) has the molecular formula C16H16N4O5 and a molecular weight of 344.33 g/mol. Its IUPAC name is 2-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)oxypyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)oxypyrazol-1-yl]acetic acid
PubChem CID69078853
Molecular FormulaC16H16N4O5
Molecular Weight344.33 g/mol
Exact Mass344.11
IUPAC Name2-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)oxypyrazol-1-yl]acetic acid
SMILESCCOc1cc2ncnc(Oc3cnn(CC(=O)O)c3)c2cc1OC
InChIInChI=1S/C16H16N4O5/c1-3-24-14-5-12-11(4-13(14)23-2)16(18-9-17-12)25-10-6-19-20(7-10)8-15(21)22/h4-7,9H,3,8H2,1-2H3,(H,21,22)
InChIKeyDVMFPDHVCGZQPS-UHFFFAOYSA-N
XLogP2.11
TPSA108.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetic acid
CID 69074338
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]-N-[3-(methylaminomethyl)phenyl]acetamide
CID 69081246
2-[4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 57393063
N-(4-chloro-3-formylphenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]acetamide
CID 86627017
tert-butyl 2-[4-[7-[2-(4-acetylpiperazin-1-yl)ethoxy]-6-methoxyquinazolin-4-yl]oxypyrazol-1-yl]acetate
CID 69075090
N-(2,3-dihydro-1H-indol-6-yl)-2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetamide
CID 69081279
tert-butyl 6-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]acetyl]amino]-2,3-dihydroindole-1-carboxylate
CID 69077685
tert-butyl 3-[5-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]acetyl]amino]-2-methoxyphenoxy]azetidine-1-carboxylate
CID 69077108
tert-butyl N-[[3-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]acetyl]amino]-5-methylphenyl]methyl]-N-propan-2-ylcarbamate
CID 69076061
tert-butyl N-cyclopropyl-N-[[3-[[2-[4-(6,7-dimethoxyquinazolin-4-yl)oxypyrazol-1-yl]acetyl]amino]-5-methylphenyl]methyl]carbamate
CID 69078203
ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
CID 54582388
2-[6-methoxy-4-(1H-pyrazol-4-yloxy)quinazolin-7-yl]oxyethanol
CID 173161763

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)oxypyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)oxypyrazol-1-yl]acetic acid (CID 69078853) is 2-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)oxypyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)oxypyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)oxypyrazol-1-yl]acetic acid is CCOc1cc2ncnc(Oc3cnn(CC(=O)O)c3)c2cc1OC.
What is the InChIKey of 2-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)oxypyrazol-1-yl]acetic acid?
The InChIKey is DVMFPDHVCGZQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5/c1-3-24-14-5-12-11(4-13(14)23-2)16(18-9-17-12)25-10-6-19-20(7-10)8-15(21)22/h4-7,9H,3,8H2,1-2H3,(H,21,22).
What are the key properties of 2-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)oxypyrazol-1-yl]acetic acid?
2-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)oxypyrazol-1-yl]acetic acid has a molecular weight of 344.33 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)oxypyrazol-1-yl]acetic acid is sourced from PubChem (CID 69078853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).