2-(methoxymethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxylic acid

C11H14N2O3 — CID 83822785

IUPAC2-(methoxymethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxylic acid
SMILESCOCc1nc2c(c(C(=O)O)n1)CCCC2
InChIInChI=1S/C11H14N2O3/c1-16-6-9-12-8-5-3-2-4-7(8)10(13-9)11(14)15/h2-6H2,1H3,(H,14,15)
InChIKeyOPLCDMPHAVMFRF-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.20
Rot. Bonds3

About 2-(methoxymethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxylic acid

2-(methoxymethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxylic acid (PubChem CID 83822785) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(methoxymethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxylic acid
PubChem CID83822785
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(methoxymethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxylic acid
SMILESCOCc1nc2c(c(C(=O)O)n1)CCCC2
InChIInChI=1S/C11H14N2O3/c1-16-6-9-12-8-5-3-2-4-7(8)10(13-9)11(14)15/h2-6H2,1H3,(H,14,15)
InChIKeyOPLCDMPHAVMFRF-UHFFFAOYSA-N
XLogP1.20
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxylic acid (CID 83822785) is 2-(methoxymethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxylic acid is COCc1nc2c(c(C(=O)O)n1)CCCC2.
What is the InChIKey of 2-(methoxymethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxylic acid?
The InChIKey is OPLCDMPHAVMFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-16-6-9-12-8-5-3-2-4-7(8)10(13-9)11(14)15/h2-6H2,1H3,(H,14,15).
What are the key properties of 2-(methoxymethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxylic acid?
2-(methoxymethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5,6,7,8-tetrahydroquinazoline-4-carboxylic acid is sourced from PubChem (CID 83822785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).