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

C12H14N2O2 — CID 80503086

IUPAC2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESO=C(O)C1CCc2nc(C3CC3)ncc2C1
InChIInChI=1S/C12H14N2O2/c15-12(16)8-3-4-10-9(5-8)6-13-11(14-10)7-1-2-7/h6-8H,1-5H2,(H,15,16)
InChIKeySPRNTFAESUUJJW-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.54
Rot. Bonds2

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

2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (PubChem CID 80503086) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
PubChem CID80503086
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESO=C(O)C1CCc2nc(C3CC3)ncc2C1
InChIInChI=1S/C12H14N2O2/c15-12(16)8-3-4-10-9(5-8)6-13-11(14-10)7-1-2-7/h6-8H,1-5H2,(H,15,16)
InChIKeySPRNTFAESUUJJW-UHFFFAOYSA-N
XLogP1.54
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The IUPAC name of 2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (CID 80503086) is 2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is O=C(O)C1CCc2nc(C3CC3)ncc2C1.
What is the InChIKey of 2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The InChIKey is SPRNTFAESUUJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-12(16)8-3-4-10-9(5-8)6-13-11(14-10)7-1-2-7/h6-8H,1-5H2,(H,15,16).
What are the key properties of 2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid has a molecular weight of 218.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is sourced from PubChem (CID 80503086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).