4-(1-methylpyrazol-4-yl)oxyquinazoline-2-carboxylic acid

C13H10N4O3 — CID 116792564

IUPAC4-(1-methylpyrazol-4-yl)oxyquinazoline-2-carboxylic acid
SMILESCn1cc(Oc2nc(C(=O)O)nc3ccccc23)cn1
InChIInChI=1S/C13H10N4O3/c1-17-7-8(6-14-17)20-12-9-4-2-3-5-10(9)15-11(16-12)13(18)19/h2-7H,1H3,(H,18,19)
InChIKeyHQQRKXNHMYFUOB-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.85
Rot. Bonds3

About 4-(1-methylpyrazol-4-yl)oxyquinazoline-2-carboxylic acid

4-(1-methylpyrazol-4-yl)oxyquinazoline-2-carboxylic acid (PubChem CID 116792564) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)oxyquinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)oxyquinazoline-2-carboxylic acid
PubChem CID116792564
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name4-(1-methylpyrazol-4-yl)oxyquinazoline-2-carboxylic acid
SMILESCn1cc(Oc2nc(C(=O)O)nc3ccccc23)cn1
InChIInChI=1S/C13H10N4O3/c1-17-7-8(6-14-17)20-12-9-4-2-3-5-10(9)15-11(16-12)13(18)19/h2-7H,1H3,(H,18,19)
InChIKeyHQQRKXNHMYFUOB-UHFFFAOYSA-N
XLogP1.85
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1-methylpyrazol-4-yl)oxyquinolin-4-yl]methanol
CID 116793268
4-ethoxyquinazoline-2-carboxylic acid
CID 63869088
4-cyclopentyloxyquinazoline-2-carboxylic acid
CID 55251807
4-methylquinazoline-2-carboxylic acid
CID 84770673
4-(4-aminophenoxy)-N-methylquinazoline-2-carboxamide
CID 141180641
4-[2-(2-methoxyethoxy)ethoxy]quinazoline-2-carboxylic acid
CID 104560492
2-bromo-6-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 114888730
1-[4-(1-methylpyrazol-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid
CID 172554828
[4-(1-ethylpyrazol-4-yl)oxyquinazolin-2-yl]hydrazine
CID 116806830
4-(2-butoxyethoxy)quinazoline-2-carboxylic acid
CID 63867559
5-methyl-2-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116792581
4-(4,4,4-trifluorobutoxy)quinazoline-2-carboxylic acid
CID 82781639

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)oxyquinazoline-2-carboxylic acid?
The IUPAC name of 4-(1-methylpyrazol-4-yl)oxyquinazoline-2-carboxylic acid (CID 116792564) is 4-(1-methylpyrazol-4-yl)oxyquinazoline-2-carboxylic acid.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)oxyquinazoline-2-carboxylic acid?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)oxyquinazoline-2-carboxylic acid is Cn1cc(Oc2nc(C(=O)O)nc3ccccc23)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)oxyquinazoline-2-carboxylic acid?
The InChIKey is HQQRKXNHMYFUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c1-17-7-8(6-14-17)20-12-9-4-2-3-5-10(9)15-11(16-12)13(18)19/h2-7H,1H3,(H,18,19).
What are the key properties of 4-(1-methylpyrazol-4-yl)oxyquinazoline-2-carboxylic acid?
4-(1-methylpyrazol-4-yl)oxyquinazoline-2-carboxylic acid has a molecular weight of 270.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)oxyquinazoline-2-carboxylic acid is sourced from PubChem (CID 116792564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).