methyl 1-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]pyrazole-3-carboxylate

C20H16N4O4 — CID 168552596

IUPACmethyl 1-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1ccn(COc2ccccc2-c2nc3ccccc3c(=O)[nH]2)n1
InChIInChI=1S/C20H16N4O4/c1-27-20(26)16-10-11-24(23-16)12-28-17-9-5-3-7-14(17)18-21-15-8-4-2-6-13(15)19(25)22-18/h2-11H,12H2,1H3,(H,21,22,25)
InChIKeyNQYTUZVMHKBVAI-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.61
Rot. Bonds5

About methyl 1-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]pyrazole-3-carboxylate

methyl 1-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]pyrazole-3-carboxylate (PubChem CID 168552596) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is methyl 1-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]pyrazole-3-carboxylate
PubChem CID168552596
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Namemethyl 1-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1ccn(COc2ccccc2-c2nc3ccccc3c(=O)[nH]2)n1
InChIInChI=1S/C20H16N4O4/c1-27-20(26)16-10-11-24(23-16)12-28-17-9-5-3-7-14(17)18-21-15-8-4-2-6-13(15)19(25)22-18/h2-11H,12H2,1H3,(H,21,22,25)
InChIKeyNQYTUZVMHKBVAI-UHFFFAOYSA-N
XLogP2.61
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 1-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]pyrazole-3-carboxylate with MolForge

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Related Compounds

methyl 5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylate
CID 168551557
N-(4-methylphenyl)-2-[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 168552578
methyl 6-(4-oxo-3H-quinazolin-2-yl)pyridine-2-carboxylate
CID 171934177
2-[2-(2,2-difluoroethoxy)phenyl]-3H-quinazolin-4-one
CID 168552669
2-[2-[(3-methoxyphenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551873
5-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]furan-2-carboxylic acid
CID 168552349
2-[2-[(4-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551636
methyl 4-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 135476431
2-(2-butan-2-yloxyphenyl)-3H-quinazolin-4-one
CID 168552014
2-(2-butoxy-3-methoxyphenyl)-3H-quinazolin-4-one
CID 168552065
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168551059

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]pyrazole-3-carboxylate?
The IUPAC name of methyl 1-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]pyrazole-3-carboxylate (CID 168552596) is methyl 1-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]pyrazole-3-carboxylate is COC(=O)c1ccn(COc2ccccc2-c2nc3ccccc3c(=O)[nH]2)n1.
What is the InChIKey of methyl 1-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]pyrazole-3-carboxylate?
The InChIKey is NQYTUZVMHKBVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c1-27-20(26)16-10-11-24(23-16)12-28-17-9-5-3-7-14(17)18-21-15-8-4-2-6-13(15)19(25)22-18/h2-11H,12H2,1H3,(H,21,22,25).
What are the key properties of methyl 1-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]pyrazole-3-carboxylate?
methyl 1-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]pyrazole-3-carboxylate has a molecular weight of 376.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-(4-oxo-3H-quinazolin-2-yl)phenoxy]methyl]pyrazole-3-carboxylate is sourced from PubChem (CID 168552596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).