N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine

C15H12F3N3O — CID 55377814

IUPACN-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine
SMILESFC(F)(F)c1nc(NCCc2ccco2)c2ccccc2n1
InChIInChI=1S/C15H12F3N3O/c16-15(17,18)14-20-12-6-2-1-5-11(12)13(21-14)19-8-7-10-4-3-9-22-10/h1-6,9H,7-8H2,(H,19,20,21)
InChIKeyHNEKBOQIEVZTJP-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.90
Rot. Bonds4

About N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine

N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 55377814) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID55377814
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC NameN-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine
SMILESFC(F)(F)c1nc(NCCc2ccco2)c2ccccc2n1
InChIInChI=1S/C15H12F3N3O/c16-15(17,18)14-20-12-6-2-1-5-11(12)13(21-14)19-8-7-10-4-3-9-22-10/h1-6,9H,7-8H2,(H,19,20,21)
InChIKeyHNEKBOQIEVZTJP-UHFFFAOYSA-N
XLogP3.90
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(furan-2-yl)ethyl]-2-N-methylquinazoline-2,4-diamine
CID 80803693
N-ethyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003229
N-(furan-2-ylmethyl)-6-methyl-2-(trifluoromethyl)quinazolin-4-amine
CID 21003570
6-chloro-N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767375
N-(2-methylpropyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 155520248
[2-(trifluoromethyl)quinazolin-4-yl]hydrazine
CID 1475464
2-N,2-N,2-trimethyl-1-N-[2-(trifluoromethyl)quinazolin-4-yl]propane-1,2-diamine
CID 154835239
N-[2-(furan-2-yl)ethyl]quinolin-4-amine
CID 61341916
N-[3-(2-methylpropoxy)propyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 154835565
7-methoxy-N-(2-phenylethyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 21003694
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 71937141
N-[2-(furan-2-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133382604

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine (CID 55377814) is N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine is FC(F)(F)c1nc(NCCc2ccco2)c2ccccc2n1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is HNEKBOQIEVZTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c16-15(17,18)14-20-12-6-2-1-5-11(12)13(21-14)19-8-7-10-4-3-9-22-10/h1-6,9H,7-8H2,(H,19,20,21).
What are the key properties of N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine?
N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 307.28 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 55377814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).