3-methyl-9-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one

C12H10F3N3O — CID 154312706

IUPAC3-methyl-9-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESCC1CNc2c3cc(C(F)(F)F)ccc3nc(=O)n21
InChIInChI=1S/C12H10F3N3O/c1-6-5-16-10-8-4-7(12(13,14)15)2-3-9(8)17-11(19)18(6)10/h2-4,6,16H,5H2,1H3
InChIKeyMNPHVFZQYZUUGV-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.40
Rot. Bonds

About 3-methyl-9-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one

3-methyl-9-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (PubChem CID 154312706) has the molecular formula C12H10F3N3O and a molecular weight of 269.23 g/mol. Its IUPAC name is 3-methyl-9-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name3-methyl-9-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
PubChem CID154312706
Molecular FormulaC12H10F3N3O
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name3-methyl-9-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESCC1CNc2c3cc(C(F)(F)F)ccc3nc(=O)n21
InChIInChI=1S/C12H10F3N3O/c1-6-5-16-10-8-4-7(12(13,14)15)2-3-9(8)17-11(19)18(6)10/h2-4,6,16H,5H2,1H3
InChIKeyMNPHVFZQYZUUGV-UHFFFAOYSA-N
XLogP2.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The IUPAC name of 3-methyl-9-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (CID 154312706) is 3-methyl-9-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.
What is the SMILES notation for 3-methyl-9-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for 3-methyl-9-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is CC1CNc2c3cc(C(F)(F)F)ccc3nc(=O)n21.
What is the InChIKey of 3-methyl-9-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The InChIKey is MNPHVFZQYZUUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O/c1-6-5-16-10-8-4-7(12(13,14)15)2-3-9(8)17-11(19)18(6)10/h2-4,6,16H,5H2,1H3.
What are the key properties of 3-methyl-9-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
3-methyl-9-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one has a molecular weight of 269.23 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-(trifluoromethyl)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 154312706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).