3-[6-fluoro-2-methyl-3-[3-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]prop-1-en-2-amine

C19H17F4N3 — CID 134527112

IUPAC3-[6-fluoro-2-methyl-3-[3-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]prop-1-en-2-amine
SMILESC=C(N)CC1c2cc(F)ccc2N=C(C)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F4N3/c1-11(24)8-18-16-10-14(20)6-7-17(16)25-12(2)26(18)15-5-3-4-13(9-15)19(21,22)23/h3-7,9-10,18H,1,8,24H2,2H3
InChIKeyAHNPSAJBWGXUON-UHFFFAOYSA-N
MW363.36 g/mol
LogP5.32
Rot. Bonds3

About 3-[6-fluoro-2-methyl-3-[3-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]prop-1-en-2-amine

3-[6-fluoro-2-methyl-3-[3-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]prop-1-en-2-amine (PubChem CID 134527112) has the molecular formula C19H17F4N3 and a molecular weight of 363.36 g/mol. Its IUPAC name is 3-[6-fluoro-2-methyl-3-[3-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]prop-1-en-2-amine.

Molecular Properties

Compound Name3-[6-fluoro-2-methyl-3-[3-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]prop-1-en-2-amine
PubChem CID134527112
Molecular FormulaC19H17F4N3
Molecular Weight363.36 g/mol
Exact Mass363.14
IUPAC Name3-[6-fluoro-2-methyl-3-[3-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]prop-1-en-2-amine
SMILESC=C(N)CC1c2cc(F)ccc2N=C(C)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H17F4N3/c1-11(24)8-18-16-10-14(20)6-7-17(16)25-12(2)26(18)15-5-3-4-13(9-15)19(21,22)23/h3-7,9-10,18H,1,8,24H2,2H3
InChIKeyAHNPSAJBWGXUON-UHFFFAOYSA-N
XLogP5.32
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.36
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-fluoro-2-methyl-3-[3-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]prop-1-en-2-amine?
The IUPAC name of 3-[6-fluoro-2-methyl-3-[3-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]prop-1-en-2-amine (CID 134527112) is 3-[6-fluoro-2-methyl-3-[3-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]prop-1-en-2-amine.
What is the SMILES notation for 3-[6-fluoro-2-methyl-3-[3-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]prop-1-en-2-amine?
The canonical SMILES for 3-[6-fluoro-2-methyl-3-[3-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]prop-1-en-2-amine is C=C(N)CC1c2cc(F)ccc2N=C(C)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[6-fluoro-2-methyl-3-[3-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]prop-1-en-2-amine?
The InChIKey is AHNPSAJBWGXUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N3/c1-11(24)8-18-16-10-14(20)6-7-17(16)25-12(2)26(18)15-5-3-4-13(9-15)19(21,22)23/h3-7,9-10,18H,1,8,24H2,2H3.
What are the key properties of 3-[6-fluoro-2-methyl-3-[3-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]prop-1-en-2-amine?
3-[6-fluoro-2-methyl-3-[3-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]prop-1-en-2-amine has a molecular weight of 363.36 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-fluoro-2-methyl-3-[3-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]prop-1-en-2-amine is sourced from PubChem (CID 134527112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).