6-methoxy-3-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]quinazolin-4-one

C18H13F3N2O2 — CID 176892937

IUPAC6-methoxy-3-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]quinazolin-4-one
SMILESCOc1ccc2ncn(/C(=C\C(F)(F)F)c3ccccc3)c(=O)c2c1
InChIInChI=1S/C18H13F3N2O2/c1-25-13-7-8-15-14(9-13)17(24)23(11-22-15)16(10-18(19,20)21)12-5-3-2-4-6-12/h2-11H,1H3/b16-10-
InChIKeyHGHSFDYBQQZEGR-YBEGLDIGSA-N
MW346.31 g/mol
LogP3.86
Rot. Bonds3

About 6-methoxy-3-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]quinazolin-4-one

6-methoxy-3-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]quinazolin-4-one (PubChem CID 176892937) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 6-methoxy-3-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]quinazolin-4-one.

Molecular Properties

Compound Name6-methoxy-3-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]quinazolin-4-one
PubChem CID176892937
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name6-methoxy-3-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]quinazolin-4-one
SMILESCOc1ccc2ncn(/C(=C\C(F)(F)F)c3ccccc3)c(=O)c2c1
InChIInChI=1S/C18H13F3N2O2/c1-25-13-7-8-15-14(9-13)17(24)23(11-22-15)16(10-18(19,20)21)12-5-3-2-4-6-12/h2-11H,1H3/b16-10-
InChIKeyHGHSFDYBQQZEGR-YBEGLDIGSA-N
XLogP3.86
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]quinazolin-4-one?
The IUPAC name of 6-methoxy-3-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]quinazolin-4-one (CID 176892937) is 6-methoxy-3-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]quinazolin-4-one.
What is the SMILES notation for 6-methoxy-3-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]quinazolin-4-one?
The canonical SMILES for 6-methoxy-3-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]quinazolin-4-one is COc1ccc2ncn(/C(=C\C(F)(F)F)c3ccccc3)c(=O)c2c1.
What is the InChIKey of 6-methoxy-3-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]quinazolin-4-one?
The InChIKey is HGHSFDYBQQZEGR-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c1-25-13-7-8-15-14(9-13)17(24)23(11-22-15)16(10-18(19,20)21)12-5-3-2-4-6-12/h2-11H,1H3/b16-10-.
What are the key properties of 6-methoxy-3-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]quinazolin-4-one?
6-methoxy-3-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]quinazolin-4-one has a molecular weight of 346.31 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]quinazolin-4-one is sourced from PubChem (CID 176892937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).