N-(3-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine

C16H11F4N3 — CID 21003598

IUPACN-(3-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
SMILESCc1ccc2nc(C(F)(F)F)nc(Nc3cccc(F)c3)c2c1
InChIInChI=1S/C16H11F4N3/c1-9-5-6-13-12(7-9)14(23-15(22-13)16(18,19)20)21-11-4-2-3-10(17)8-11/h2-8H,1H3,(H,21,22,23)
InChIKeyMQYGWLRPMDPOBX-UHFFFAOYSA-N
MW321.28 g/mol
LogP4.84
Rot. Bonds2

About N-(3-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine

N-(3-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 21003598) has the molecular formula C16H11F4N3 and a molecular weight of 321.28 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID21003598
Molecular FormulaC16H11F4N3
Molecular Weight321.28 g/mol
Exact Mass321.09
IUPAC NameN-(3-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
SMILESCc1ccc2nc(C(F)(F)F)nc(Nc3cccc(F)c3)c2c1
InChIInChI=1S/C16H11F4N3/c1-9-5-6-13-12(7-9)14(23-15(22-13)16(18,19)20)21-11-4-2-3-10(17)8-11/h2-8H,1H3,(H,21,22,23)
InChIKeyMQYGWLRPMDPOBX-UHFFFAOYSA-N
XLogP4.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003222
N-(3-chloro-4-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003580
6-fluoro-N-phenyl-2-(trifluoromethyl)quinazolin-4-amine
CID 110434628
N-ethyl-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 64981586
1-N-[6-fluoro-2-(trifluoromethyl)quinazolin-4-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 110434640
3-[[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]amino]benzonitrile
CID 21003373
methyl 3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]benzoate
CID 71689070
N-(furan-2-ylmethyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003570
N-(4-fluorophenyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 32677860
6-methyl-2-N,3-N-bis[3-(trifluoromethyl)phenyl]quinoxaline-2,3-diamine
CID 5053700
6-methyl-N-phenyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430600
2-[[6-methyl-2-(trifluoromethyl)quinazolin-4-yl]amino]-3-phenylpropanoic acid
CID 21003630

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine (CID 21003598) is N-(3-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine is Cc1ccc2nc(C(F)(F)F)nc(Nc3cccc(F)c3)c2c1.
What is the InChIKey of N-(3-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is MQYGWLRPMDPOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N3/c1-9-5-6-13-12(7-9)14(23-15(22-13)16(18,19)20)21-11-4-2-3-10(17)8-11/h2-8H,1H3,(H,21,22,23).
What are the key properties of N-(3-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine?
N-(3-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 321.28 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 21003598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).