2-chloro-3-[2-(methylamino)ethyl]-7-(trifluoromethyl)quinazolin-4-one

C12H11ClF3N3O — CID 117264403

IUPAC2-chloro-3-[2-(methylamino)ethyl]-7-(trifluoromethyl)quinazolin-4-one
SMILESCNCCn1c(Cl)nc2cc(C(F)(F)F)ccc2c1=O
InChIInChI=1S/C12H11ClF3N3O/c1-17-4-5-19-10(20)8-3-2-7(12(14,15)16)6-9(8)18-11(19)13/h2-3,6,17H,4-5H2,1H3
InChIKeyGUZRNTRIEIXTHI-UHFFFAOYSA-N
MW305.69 g/mol
LogP2.29
Rot. Bonds3

About 2-chloro-3-[2-(methylamino)ethyl]-7-(trifluoromethyl)quinazolin-4-one

2-chloro-3-[2-(methylamino)ethyl]-7-(trifluoromethyl)quinazolin-4-one (PubChem CID 117264403) has the molecular formula C12H11ClF3N3O and a molecular weight of 305.69 g/mol. Its IUPAC name is 2-chloro-3-[2-(methylamino)ethyl]-7-(trifluoromethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-chloro-3-[2-(methylamino)ethyl]-7-(trifluoromethyl)quinazolin-4-one
PubChem CID117264403
Molecular FormulaC12H11ClF3N3O
Molecular Weight305.69 g/mol
Exact Mass305.05
IUPAC Name2-chloro-3-[2-(methylamino)ethyl]-7-(trifluoromethyl)quinazolin-4-one
SMILESCNCCn1c(Cl)nc2cc(C(F)(F)F)ccc2c1=O
InChIInChI=1S/C12H11ClF3N3O/c1-17-4-5-19-10(20)8-3-2-7(12(14,15)16)6-9(8)18-11(19)13/h2-3,6,17H,4-5H2,1H3
InChIKeyGUZRNTRIEIXTHI-UHFFFAOYSA-N
XLogP2.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.69
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-7-fluoro-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 117264428
2,6-dichloro-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 117264080
2-chloro-3-[1-(methylamino)ethyl]-7-(trifluoromethyl)quinazolin-4-one
CID 117264349
3-(1-aminoethyl)-2-chloro-7-(trifluoromethyl)quinazolin-4-one
CID 117264348
2-(methylaminomethyl)-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 136900817
2-chloro-7-fluoro-3-[2-(methylamino)propyl]quinazolin-4-one
CID 117264434
3-butyl-7-(trifluoromethyl)-2-triphenylstannylsulfanylquinazolin-4-one
CID 70432280
2-[3-benzyl-4-oxo-7-(trifluoromethyl)quinazolin-2-yl]-3-methylbutanamide
CID 57435298
2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole
CID 156865270
2-fluoro-N-[4-oxo-2-propan-2-yl-7-(trifluoromethyl)quinazolin-3-yl]-2-phenylpropanamide
CID 69075578
2,7-dichloro-3-(2-oxopropyl)quinazolin-4-one
CID 117264200
3-(2-aminoethyl)-1-methyl-7-(trifluoromethyl)quinazoline-2,4-dione
CID 117262969

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[2-(methylamino)ethyl]-7-(trifluoromethyl)quinazolin-4-one?
The IUPAC name of 2-chloro-3-[2-(methylamino)ethyl]-7-(trifluoromethyl)quinazolin-4-one (CID 117264403) is 2-chloro-3-[2-(methylamino)ethyl]-7-(trifluoromethyl)quinazolin-4-one.
What is the SMILES notation for 2-chloro-3-[2-(methylamino)ethyl]-7-(trifluoromethyl)quinazolin-4-one?
The canonical SMILES for 2-chloro-3-[2-(methylamino)ethyl]-7-(trifluoromethyl)quinazolin-4-one is CNCCn1c(Cl)nc2cc(C(F)(F)F)ccc2c1=O.
What is the InChIKey of 2-chloro-3-[2-(methylamino)ethyl]-7-(trifluoromethyl)quinazolin-4-one?
The InChIKey is GUZRNTRIEIXTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N3O/c1-17-4-5-19-10(20)8-3-2-7(12(14,15)16)6-9(8)18-11(19)13/h2-3,6,17H,4-5H2,1H3.
What are the key properties of 2-chloro-3-[2-(methylamino)ethyl]-7-(trifluoromethyl)quinazolin-4-one?
2-chloro-3-[2-(methylamino)ethyl]-7-(trifluoromethyl)quinazolin-4-one has a molecular weight of 305.69 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[2-(methylamino)ethyl]-7-(trifluoromethyl)quinazolin-4-one is sourced from PubChem (CID 117264403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).