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

C12H16N2O3 — CID 81423769

IUPAC2-(methoxymethyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCOCc1nc(C)c2c(n1)CCC(C(=O)O)C2
InChIInChI=1S/C12H16N2O3/c1-7-9-5-8(12(15)16)3-4-10(9)14-11(13-7)6-17-2/h8H,3-6H2,1-2H3,(H,15,16)
InChIKeyXIAVCQRQNTVUOG-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.12
Rot. Bonds3

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

2-(methoxymethyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (PubChem CID 81423769) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
PubChem CID81423769
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(methoxymethyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCOCc1nc(C)c2c(n1)CCC(C(=O)O)C2
InChIInChI=1S/C12H16N2O3/c1-7-9-5-8(12(15)16)3-4-10(9)14-11(13-7)6-17-2/h8H,3-6H2,1-2H3,(H,15,16)
InChIKeyXIAVCQRQNTVUOG-UHFFFAOYSA-N
XLogP1.12
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (CID 81423769) is 2-(methoxymethyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is COCc1nc(C)c2c(n1)CCC(C(=O)O)C2.
What is the InChIKey of 2-(methoxymethyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The InChIKey is XIAVCQRQNTVUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7-9-5-8(12(15)16)3-4-10(9)14-11(13-7)6-17-2/h8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-(methoxymethyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
2-(methoxymethyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is sourced from PubChem (CID 81423769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).