2-[6-methoxy-4-(1H-pyrazol-4-yloxy)quinazolin-7-yl]oxyethanol

C14H14N4O4 — CID 173161763

IUPAC2-[6-methoxy-4-(1H-pyrazol-4-yloxy)quinazolin-7-yl]oxyethanol
SMILESCOc1cc2c(Oc3cn[nH]c3)ncnc2cc1OCCO
InChIInChI=1S/C14H14N4O4/c1-20-12-4-10-11(5-13(12)21-3-2-19)15-8-16-14(10)22-9-6-17-18-7-9/h4-8,19H,2-3H2,1H3,(H,17,18)
InChIKeyUMQBBFMRSBBMOH-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.52
Rot. Bonds6

About 2-[6-methoxy-4-(1H-pyrazol-4-yloxy)quinazolin-7-yl]oxyethanol

2-[6-methoxy-4-(1H-pyrazol-4-yloxy)quinazolin-7-yl]oxyethanol (PubChem CID 173161763) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-[6-methoxy-4-(1H-pyrazol-4-yloxy)quinazolin-7-yl]oxyethanol.

Molecular Properties

Compound Name2-[6-methoxy-4-(1H-pyrazol-4-yloxy)quinazolin-7-yl]oxyethanol
PubChem CID173161763
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Name2-[6-methoxy-4-(1H-pyrazol-4-yloxy)quinazolin-7-yl]oxyethanol
SMILESCOc1cc2c(Oc3cn[nH]c3)ncnc2cc1OCCO
InChIInChI=1S/C14H14N4O4/c1-20-12-4-10-11(5-13(12)21-3-2-19)15-8-16-14(10)22-9-6-17-18-7-9/h4-8,19H,2-3H2,1H3,(H,17,18)
InChIKeyUMQBBFMRSBBMOH-UHFFFAOYSA-N
XLogP1.52
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2-chloroethoxy)-7-methoxy-4-(1H-pyrazol-4-yloxy)quinazoline
CID 173161815
7-methoxy-4-(1H-pyrazol-4-yloxy)-6-(3-pyrrolidin-1-ylpropoxy)quinazoline
CID 154458074
2-[4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]oxypyrazol-1-yl]acetic acid
CID 69074338
2-[4-[7-(2-hydroxyethoxy)-6-methoxyquinazolin-4-yl]oxyphenyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 11626865
7-(2-chloroethoxy)-6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazoline
CID 59682910
2-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)oxypyrazol-1-yl]acetic acid
CID 69078853
7-(2-chloroethoxy)-4-[(2,3-dimethyl-1H-indol-6-yl)oxy]-6-methoxyquinazoline
CID 11689807
2-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]acetyl chloride
CID 86238128
4-(1H-indol-5-yloxy)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline
CID 22030853
[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate
CID 154966615
1-[4-[2-[6-methoxy-4-[(3-methyl-1H-indol-5-yl)oxy]quinazolin-7-yl]oxyethyl]piperazin-1-yl]propan-2-one
CID 11352302
ethyl N-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamate
CID 54582388

Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-4-(1H-pyrazol-4-yloxy)quinazolin-7-yl]oxyethanol?
The IUPAC name of 2-[6-methoxy-4-(1H-pyrazol-4-yloxy)quinazolin-7-yl]oxyethanol (CID 173161763) is 2-[6-methoxy-4-(1H-pyrazol-4-yloxy)quinazolin-7-yl]oxyethanol.
What is the SMILES notation for 2-[6-methoxy-4-(1H-pyrazol-4-yloxy)quinazolin-7-yl]oxyethanol?
The canonical SMILES for 2-[6-methoxy-4-(1H-pyrazol-4-yloxy)quinazolin-7-yl]oxyethanol is COc1cc2c(Oc3cn[nH]c3)ncnc2cc1OCCO.
What is the InChIKey of 2-[6-methoxy-4-(1H-pyrazol-4-yloxy)quinazolin-7-yl]oxyethanol?
The InChIKey is UMQBBFMRSBBMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-20-12-4-10-11(5-13(12)21-3-2-19)15-8-16-14(10)22-9-6-17-18-7-9/h4-8,19H,2-3H2,1H3,(H,17,18).
What are the key properties of 2-[6-methoxy-4-(1H-pyrazol-4-yloxy)quinazolin-7-yl]oxyethanol?
2-[6-methoxy-4-(1H-pyrazol-4-yloxy)quinazolin-7-yl]oxyethanol has a molecular weight of 302.29 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-4-(1H-pyrazol-4-yloxy)quinazolin-7-yl]oxyethanol is sourced from PubChem (CID 173161763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).