6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine

C21H14F4N4 — CID 71274599

IUPAC6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3ccc(F)c(C(F)(F)F)c3)cc12
InChIInChI=1S/C21H14F4N4/c1-26-20-15-9-12(13-4-6-17(22)16(10-13)21(23,24)25)5-7-18(15)28-19(29-20)14-3-2-8-27-11-14/h2-11H,1H3,(H,26,28,29)
InChIKeyAGUGLVHUKGMTGU-UHFFFAOYSA-N
MW398.36 g/mol
LogP5.56
Rot. Bonds3

About 6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine

6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71274599) has the molecular formula C21H14F4N4 and a molecular weight of 398.36 g/mol. Its IUPAC name is 6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71274599
Molecular FormulaC21H14F4N4
Molecular Weight398.36 g/mol
Exact Mass398.12
IUPAC Name6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3ccc(F)c(C(F)(F)F)c3)cc12
InChIInChI=1S/C21H14F4N4/c1-26-20-15-9-12(13-4-6-17(22)16(10-13)21(23,24)25)5-7-18(15)28-19(29-20)14-3-2-8-27-11-14/h2-11H,1H3,(H,26,28,29)
InChIKeyAGUGLVHUKGMTGU-UHFFFAOYSA-N
XLogP5.56
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.36
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 122494265
N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180199
3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
CID 67297993
N-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274519
6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179890
6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179842
N,6-dimethyl-2-pyridin-3-ylquinazolin-4-amine;ethane
CID 144500540
6-(2-fluoro-4-methylsulfonylphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180643
N-methyl-2-pyridin-3-yl-6-[3-(5,5,5-trifluoropentoxy)phenyl]quinazolin-4-amine
CID 146736740
N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 89347896
6-(3,4-difluorophenyl)-N,7-dimethyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180161
N-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71179891

Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine (CID 71274599) is 6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine is CNc1nc(-c2cccnc2)nc2ccc(-c3ccc(F)c(C(F)(F)F)c3)cc12.
What is the InChIKey of 6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is AGUGLVHUKGMTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N4/c1-26-20-15-9-12(13-4-6-17(22)16(10-13)21(23,24)25)5-7-18(15)28-19(29-20)14-3-2-8-27-11-14/h2-11H,1H3,(H,26,28,29).
What are the key properties of 6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine?
6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 398.36 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71274599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).