N-methyl-6-(3-methylphenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine

C22H17F3N4 — CID 71180773

IUPACN-methyl-6-(3-methylphenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
SMILESCNc1nc(-c2ccc(C(F)(F)F)nc2)nc2ccc(-c3cccc(C)c3)cc12
InChIInChI=1S/C22H17F3N4/c1-13-4-3-5-14(10-13)15-6-8-18-17(11-15)21(26-2)29-20(28-18)16-7-9-19(27-12-16)22(23,24)25/h3-12H,1-2H3,(H,26,28,29)
InChIKeyNDVUUKKXJGZBJS-UHFFFAOYSA-N
MW394.40 g/mol
LogP5.73
Rot. Bonds3

About N-methyl-6-(3-methylphenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine

N-methyl-6-(3-methylphenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine (PubChem CID 71180773) has the molecular formula C22H17F3N4 and a molecular weight of 394.40 g/mol. Its IUPAC name is N-methyl-6-(3-methylphenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(3-methylphenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
PubChem CID71180773
Molecular FormulaC22H17F3N4
Molecular Weight394.40 g/mol
Exact Mass394.14
IUPAC NameN-methyl-6-(3-methylphenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
SMILESCNc1nc(-c2ccc(C(F)(F)F)nc2)nc2ccc(-c3cccc(C)c3)cc12
InChIInChI=1S/C22H17F3N4/c1-13-4-3-5-14(10-13)15-6-8-18-17(11-15)21(26-2)29-20(28-18)16-7-9-19(27-12-16)22(23,24)25/h3-12H,1-2H3,(H,26,28,29)
InChIKeyNDVUUKKXJGZBJS-UHFFFAOYSA-N
XLogP5.73
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.40
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-methyl-2-(3-methylphenyl)quinazolin-4-amine
CID 64981581
N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180199
6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71274599
N,6-dimethyl-2-pyridin-3-ylquinazolin-4-amine;ethane
CID 144500540
3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
CID 67297993
N-methyl-2-pyridin-3-yl-6-[3-(5,5,5-trifluoropentoxy)phenyl]quinazolin-4-amine
CID 146736740
6-fluoro-2-(4-fluorophenyl)-N-methylquinazolin-4-amine
CID 64980918
N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 89347896
N-methyl-6-[3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71274687
6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 122494265
N-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274519
3-(3-methylphenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]quinoline-7-carboxamide
CID 155287878

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(3-methylphenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of N-methyl-6-(3-methylphenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine (CID 71180773) is N-methyl-6-(3-methylphenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for N-methyl-6-(3-methylphenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for N-methyl-6-(3-methylphenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine is CNc1nc(-c2ccc(C(F)(F)F)nc2)nc2ccc(-c3cccc(C)c3)cc12.
What is the InChIKey of N-methyl-6-(3-methylphenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine?
The InChIKey is NDVUUKKXJGZBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4/c1-13-4-3-5-14(10-13)15-6-8-18-17(11-15)21(26-2)29-20(28-18)16-7-9-19(27-12-16)22(23,24)25/h3-12H,1-2H3,(H,26,28,29).
What are the key properties of N-methyl-6-(3-methylphenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine?
N-methyl-6-(3-methylphenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine has a molecular weight of 394.40 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(3-methylphenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 71180773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).