7-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]-2H-quinazolin-4-amine

C16H13ClF3N3 — CID 71193128

IUPAC7-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]-2H-quinazolin-4-amine
SMILESCN1c2cc(Cl)ccc2C(N)=NC1c1ccccc1C(F)(F)F
InChIInChI=1S/C16H13ClF3N3/c1-23-13-8-9(17)6-7-11(13)14(21)22-15(23)10-4-2-3-5-12(10)16(18,19)20/h2-8,15H,1H3,(H2,21,22)
InChIKeyWYNYTTCCTAOAAM-UHFFFAOYSA-N
MW339.75 g/mol
LogP4.21
Rot. Bonds1

About 7-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]-2H-quinazolin-4-amine

7-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]-2H-quinazolin-4-amine (PubChem CID 71193128) has the molecular formula C16H13ClF3N3 and a molecular weight of 339.75 g/mol. Its IUPAC name is 7-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]-2H-quinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]-2H-quinazolin-4-amine
PubChem CID71193128
Molecular FormulaC16H13ClF3N3
Molecular Weight339.75 g/mol
Exact Mass339.08
IUPAC Name7-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]-2H-quinazolin-4-amine
SMILESCN1c2cc(Cl)ccc2C(N)=NC1c1ccccc1C(F)(F)F
InChIInChI=1S/C16H13ClF3N3/c1-23-13-8-9(17)6-7-11(13)14(21)22-15(23)10-4-2-3-5-12(10)16(18,19)20/h2-8,15H,1H3,(H2,21,22)
InChIKeyWYNYTTCCTAOAAM-UHFFFAOYSA-N
XLogP4.21
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.75
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]-2H-quinazolin-4-amine?
The IUPAC name of 7-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]-2H-quinazolin-4-amine (CID 71193128) is 7-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]-2H-quinazolin-4-amine.
What is the SMILES notation for 7-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]-2H-quinazolin-4-amine?
The canonical SMILES for 7-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]-2H-quinazolin-4-amine is CN1c2cc(Cl)ccc2C(N)=NC1c1ccccc1C(F)(F)F.
What is the InChIKey of 7-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]-2H-quinazolin-4-amine?
The InChIKey is WYNYTTCCTAOAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3N3/c1-23-13-8-9(17)6-7-11(13)14(21)22-15(23)10-4-2-3-5-12(10)16(18,19)20/h2-8,15H,1H3,(H2,21,22).
What are the key properties of 7-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]-2H-quinazolin-4-amine?
7-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]-2H-quinazolin-4-amine has a molecular weight of 339.75 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]-2H-quinazolin-4-amine is sourced from PubChem (CID 71193128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).