N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

C17H14F3N3 — CID 3232909

IUPACN,N-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCN(C)c1nc(-c2ccccc2C(F)(F)F)nc2ccccc12
InChIInChI=1S/C17H14F3N3/c1-23(2)16-12-8-4-6-10-14(12)21-15(22-16)11-7-3-5-9-13(11)17(18,19)20/h3-10H,1-2H3
InChIKeyJCUQWKSWKJIPKT-UHFFFAOYSA-N
MW317.31 g/mol
LogP4.38
Rot. Bonds2

About N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 3232909) has the molecular formula C17H14F3N3 and a molecular weight of 317.31 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID3232909
Molecular FormulaC17H14F3N3
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC NameN,N-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCN(C)c1nc(-c2ccccc2C(F)(F)F)nc2ccccc12
InChIInChI=1S/C17H14F3N3/c1-23(2)16-12-8-4-6-10-14(12)21-15(22-16)11-7-3-5-9-13(11)17(18,19)20/h3-10H,1-2H3
InChIKeyJCUQWKSWKJIPKT-UHFFFAOYSA-N
XLogP4.38
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 3232909) is N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is CN(C)c1nc(-c2ccccc2C(F)(F)F)nc2ccccc12.
What is the InChIKey of N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is JCUQWKSWKJIPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3/c1-23(2)16-12-8-4-6-10-14(12)21-15(22-16)11-7-3-5-9-13(11)17(18,19)20/h3-10H,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 317.31 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 3232909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).