8-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-quinazoline-8-carboxylic acid

C11H11F3N2O2 — CID 115048581

IUPAC8-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-quinazoline-8-carboxylic acid
SMILESCC1(C(=O)O)CCCc2cnc(C(F)(F)F)nc21
InChIInChI=1S/C11H11F3N2O2/c1-10(9(17)18)4-2-3-6-5-15-8(11(12,13)14)16-7(6)10/h5H,2-4H2,1H3,(H,17,18)
InChIKeyMPJZMVMJKDXSKY-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.17
Rot. Bonds1

About 8-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-quinazoline-8-carboxylic acid

8-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-quinazoline-8-carboxylic acid (PubChem CID 115048581) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 8-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-quinazoline-8-carboxylic acid.

Molecular Properties

Compound Name8-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-quinazoline-8-carboxylic acid
PubChem CID115048581
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name8-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-quinazoline-8-carboxylic acid
SMILESCC1(C(=O)O)CCCc2cnc(C(F)(F)F)nc21
InChIInChI=1S/C11H11F3N2O2/c1-10(9(17)18)4-2-3-6-5-15-8(11(12,13)14)16-7(6)10/h5H,2-4H2,1H3,(H,17,18)
InChIKeyMPJZMVMJKDXSKY-UHFFFAOYSA-N
XLogP2.17
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-quinazoline-8-carboxylic acid?
The IUPAC name of 8-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-quinazoline-8-carboxylic acid (CID 115048581) is 8-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-quinazoline-8-carboxylic acid.
What is the SMILES notation for 8-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-quinazoline-8-carboxylic acid?
The canonical SMILES for 8-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-quinazoline-8-carboxylic acid is CC1(C(=O)O)CCCc2cnc(C(F)(F)F)nc21.
What is the InChIKey of 8-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-quinazoline-8-carboxylic acid?
The InChIKey is MPJZMVMJKDXSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c1-10(9(17)18)4-2-3-6-5-15-8(11(12,13)14)16-7(6)10/h5H,2-4H2,1H3,(H,17,18).
What are the key properties of 8-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-quinazoline-8-carboxylic acid?
8-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-quinazoline-8-carboxylic acid has a molecular weight of 260.21 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-quinazoline-8-carboxylic acid is sourced from PubChem (CID 115048581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).