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

C14H20N2O2 — CID 81423145

IUPAC2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCC(C)(C)Cc1ncc2c(n1)CCC(C(=O)O)C2
InChIInChI=1S/C14H20N2O2/c1-14(2,3)7-12-15-8-10-6-9(13(17)18)4-5-11(10)16-12/h8-9H,4-7H2,1-3H3,(H,17,18)
InChIKeyOJGCHDHNPDNCCW-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.25
Rot. Bonds2

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

2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (PubChem CID 81423145) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
PubChem CID81423145
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCC(C)(C)Cc1ncc2c(n1)CCC(C(=O)O)C2
InChIInChI=1S/C14H20N2O2/c1-14(2,3)7-12-15-8-10-6-9(13(17)18)4-5-11(10)16-12/h8-9H,4-7H2,1-3H3,(H,17,18)
InChIKeyOJGCHDHNPDNCCW-UHFFFAOYSA-N
XLogP2.25
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The IUPAC name of 2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (CID 81423145) is 2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The canonical SMILES for 2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is CC(C)(C)Cc1ncc2c(n1)CCC(C(=O)O)C2.
What is the InChIKey of 2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The InChIKey is OJGCHDHNPDNCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,3)7-12-15-8-10-6-9(13(17)18)4-5-11(10)16-12/h8-9H,4-7H2,1-3H3,(H,17,18).
What are the key properties of 2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is sourced from PubChem (CID 81423145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).