2-ethyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

C11H14N2O2 — CID 80503363

IUPAC2-ethyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCCc1ncc2c(n1)CCC(C(=O)O)C2
InChIInChI=1S/C11H14N2O2/c1-2-10-12-6-8-5-7(11(14)15)3-4-9(8)13-10/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyRDWFOTPRCCPZDQ-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.23
Rot. Bonds2

About 2-ethyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

2-ethyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (PubChem CID 80503363) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-ethyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
PubChem CID80503363
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-ethyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCCc1ncc2c(n1)CCC(C(=O)O)C2
InChIInChI=1S/C11H14N2O2/c1-2-10-12-6-8-5-7(11(14)15)3-4-9(8)13-10/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyRDWFOTPRCCPZDQ-UHFFFAOYSA-N
XLogP1.23
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The IUPAC name of 2-ethyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (CID 80503363) is 2-ethyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.
What is the SMILES notation for 2-ethyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The canonical SMILES for 2-ethyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is CCc1ncc2c(n1)CCC(C(=O)O)C2.
What is the InChIKey of 2-ethyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The InChIKey is RDWFOTPRCCPZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-10-12-6-8-5-7(11(14)15)3-4-9(8)13-10/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-ethyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
2-ethyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is sourced from PubChem (CID 80503363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).