2-amino-3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)quinazolin-4-one

C18H14F3N3O — CID 86297430

IUPAC2-amino-3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)quinazolin-4-one
SMILESNc1nc2cc(C(F)(F)F)ccc2c(=O)n1C1Cc2ccccc2C1
InChIInChI=1S/C18H14F3N3O/c19-18(20,21)12-5-6-14-15(9-12)23-17(22)24(16(14)25)13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H2,22,23)
InChIKeyXLDZANMGOWHGIN-UHFFFAOYSA-N
MW345.32 g/mol
LogP3.34
Rot. Bonds1

About 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)quinazolin-4-one

2-amino-3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)quinazolin-4-one (PubChem CID 86297430) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-amino-3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)quinazolin-4-one
PubChem CID86297430
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC Name2-amino-3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)quinazolin-4-one
SMILESNc1nc2cc(C(F)(F)F)ccc2c(=O)n1C1Cc2ccccc2C1
InChIInChI=1S/C18H14F3N3O/c19-18(20,21)12-5-6-14-15(9-12)23-17(22)24(16(14)25)13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H2,22,23)
InChIKeyXLDZANMGOWHGIN-UHFFFAOYSA-N
XLogP3.34
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135901558
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135901559
(3E)-3-[[4-(trifluoromethyl)phenyl]methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one
CID 11046123
[2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2-benzylpyrrolidin-1-yl)methanone
CID 86297240
[2-amino-3-(2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-7-yl]-(2,3-dihydroindol-1-yl)methanone
CID 86297434
3-[2-(1-isopropylpiperidin-2-yl)ethyl]-7-(trifluoromethyl)quinazolin-4(3H)-one
CID 45931277
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135901560
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135901561
3-Phenyl-7-(trifluoromethyl)quinazolin-4-one
CID 122231909
2-fluoro-7-methyl-12H-isoindolo[1,2-b]quinazolin-10-one
CID 135028808
2-Hydrazino-3-indan-2-yl-7-trifluoromethyl-3H-quinazolin-4-one
CID 86297432
2-amino-3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-4H-quinazoline-7-carboxamide
CID 86297237

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)quinazolin-4-one?
The IUPAC name of 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)quinazolin-4-one (CID 86297430) is 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)quinazolin-4-one.
What is the SMILES notation for 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)quinazolin-4-one?
The canonical SMILES for 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)quinazolin-4-one is Nc1nc2cc(C(F)(F)F)ccc2c(=O)n1C1Cc2ccccc2C1.
What is the InChIKey of 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)quinazolin-4-one?
The InChIKey is XLDZANMGOWHGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O/c19-18(20,21)12-5-6-14-15(9-12)23-17(22)24(16(14)25)13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H2,22,23).
What are the key properties of 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)quinazolin-4-one?
2-amino-3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)quinazolin-4-one has a molecular weight of 345.32 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-7-(trifluoromethyl)quinazolin-4-one is sourced from PubChem (CID 86297430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).