6-chloro-4-phenyl-4-[(E)-prop-1-enyl]-3-(2,2,2-trifluoroethyl)quinazoline

C19H16ClF3N2 — CID 141150764

IUPAC6-chloro-4-phenyl-4-[(E)-prop-1-enyl]-3-(2,2,2-trifluoroethyl)quinazoline
SMILESC/C=C/C1(c2ccccc2)c2cc(Cl)ccc2N=CN1CC(F)(F)F
InChIInChI=1S/C19H16ClF3N2/c1-2-10-18(14-6-4-3-5-7-14)16-11-15(20)8-9-17(16)24-13-25(18)12-19(21,22)23/h2-11,13H,12H2,1H3/b10-2+
InChIKeyUXWZRWZPAXBBBT-WTDSWWLTSA-N
MW364.80 g/mol
LogP5.70
Rot. Bonds3

About 6-chloro-4-phenyl-4-[(E)-prop-1-enyl]-3-(2,2,2-trifluoroethyl)quinazoline

6-chloro-4-phenyl-4-[(E)-prop-1-enyl]-3-(2,2,2-trifluoroethyl)quinazoline (PubChem CID 141150764) has the molecular formula C19H16ClF3N2 and a molecular weight of 364.80 g/mol. Its IUPAC name is 6-chloro-4-phenyl-4-[(E)-prop-1-enyl]-3-(2,2,2-trifluoroethyl)quinazoline.

Molecular Properties

Compound Name6-chloro-4-phenyl-4-[(E)-prop-1-enyl]-3-(2,2,2-trifluoroethyl)quinazoline
PubChem CID141150764
Molecular FormulaC19H16ClF3N2
Molecular Weight364.80 g/mol
Exact Mass364.10
IUPAC Name6-chloro-4-phenyl-4-[(E)-prop-1-enyl]-3-(2,2,2-trifluoroethyl)quinazoline
SMILESC/C=C/C1(c2ccccc2)c2cc(Cl)ccc2N=CN1CC(F)(F)F
InChIInChI=1S/C19H16ClF3N2/c1-2-10-18(14-6-4-3-5-7-14)16-11-15(20)8-9-17(16)24-13-25(18)12-19(21,22)23/h2-11,13H,12H2,1H3/b10-2+
InChIKeyUXWZRWZPAXBBBT-WTDSWWLTSA-N
XLogP5.70
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.80
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-4-[(E)-prop-1-enyl]-3-(2,2,2-trifluoroethyl)quinazoline?
The IUPAC name of 6-chloro-4-phenyl-4-[(E)-prop-1-enyl]-3-(2,2,2-trifluoroethyl)quinazoline (CID 141150764) is 6-chloro-4-phenyl-4-[(E)-prop-1-enyl]-3-(2,2,2-trifluoroethyl)quinazoline.
What is the SMILES notation for 6-chloro-4-phenyl-4-[(E)-prop-1-enyl]-3-(2,2,2-trifluoroethyl)quinazoline?
The canonical SMILES for 6-chloro-4-phenyl-4-[(E)-prop-1-enyl]-3-(2,2,2-trifluoroethyl)quinazoline is C/C=C/C1(c2ccccc2)c2cc(Cl)ccc2N=CN1CC(F)(F)F.
What is the InChIKey of 6-chloro-4-phenyl-4-[(E)-prop-1-enyl]-3-(2,2,2-trifluoroethyl)quinazoline?
The InChIKey is UXWZRWZPAXBBBT-WTDSWWLTSA-N. The full InChI is InChI=1S/C19H16ClF3N2/c1-2-10-18(14-6-4-3-5-7-14)16-11-15(20)8-9-17(16)24-13-25(18)12-19(21,22)23/h2-11,13H,12H2,1H3/b10-2+.
What are the key properties of 6-chloro-4-phenyl-4-[(E)-prop-1-enyl]-3-(2,2,2-trifluoroethyl)quinazoline?
6-chloro-4-phenyl-4-[(E)-prop-1-enyl]-3-(2,2,2-trifluoroethyl)quinazoline has a molecular weight of 364.80 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-4-[(E)-prop-1-enyl]-3-(2,2,2-trifluoroethyl)quinazoline is sourced from PubChem (CID 141150764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).